carbon dioxide;methyl 6-[3-[[1-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]piperidin-4-ylidene]methyl]phenoxy]pyridine-3-carboxylate;N-[(1R,2S)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide

C57H56N6O8 — CID 167616777

IUPACcarbon dioxide;methyl 6-[3-[[1-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]piperidin-4-ylidene]methyl]phenoxy]pyridine-3-carboxylate;N-[(1R,2S)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide
SMILESCOC(=O)c1ccc(Oc2cccc(C=C3CCN(C(=O)N[C@@H]4C[C@H]4c4ccccc4)CC3)c2)nc1.O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ccccn3)c2)CC1.O=C=O
InChIInChI=1S/C29H29N3O4.C27H27N3O2.CO2/c1-35-28(33)23-10-11-27(30-19-23)36-24-9-5-6-21(17-24)16-20-12-14-32(15-13-20)29(34)31-26-18-25(26)22-7-3-2-4-8-22;31-27(29-25-19-24(25)22-8-2-1-3-9-22)30-15-12-20(13-16-30)17-21-7-6-10-23(18-21)32-26-11-4-5-14-28-26;2-1-3/h2-11,16-17,19,25-26H,12-15,18H2,1H3,(H,31,34);1-11,14,17-18,24-25H,12-13,15-16,19H2,(H,29,31);/t25-,26+;24-,25+;/m00./s1
InChIKeyLVXGDJCUXSBEJD-IWFVHJIASA-N
MW953.11 g/mol
LogP10.44
Rot. Bonds11

About carbon dioxide;methyl 6-[3-[[1-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]piperidin-4-ylidene]methyl]phenoxy]pyridine-3-carboxylate;N-[(1R,2S)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide

carbon dioxide;methyl 6-[3-[[1-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]piperidin-4-ylidene]methyl]phenoxy]pyridine-3-carboxylate;N-[(1R,2S)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide (PubChem CID 167616777) has the molecular formula C57H56N6O8 and a molecular weight of 953.11 g/mol. Its IUPAC name is carbon dioxide;methyl 6-[3-[[1-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]piperidin-4-ylidene]methyl]phenoxy]pyridine-3-carboxylate;N-[(1R,2S)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide.

Molecular Properties

Compound Namecarbon dioxide;methyl 6-[3-[[1-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]piperidin-4-ylidene]methyl]phenoxy]pyridine-3-carboxylate;N-[(1R,2S)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide
PubChem CID167616777
Molecular FormulaC57H56N6O8
Molecular Weight953.11 g/mol
Exact Mass952.42
IUPAC Namecarbon dioxide;methyl 6-[3-[[1-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]piperidin-4-ylidene]methyl]phenoxy]pyridine-3-carboxylate;N-[(1R,2S)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide
SMILESCOC(=O)c1ccc(Oc2cccc(C=C3CCN(C(=O)N[C@@H]4C[C@H]4c4ccccc4)CC3)c2)nc1.O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ccccn3)c2)CC1.O=C=O
InChIInChI=1S/C29H29N3O4.C27H27N3O2.CO2/c1-35-28(33)23-10-11-27(30-19-23)36-24-9-5-6-21(17-24)16-20-12-14-32(15-13-20)29(34)31-26-18-25(26)22-7-3-2-4-8-22;31-27(29-25-19-24(25)22-8-2-1-3-9-22)30-15-12-20(13-16-30)17-21-7-6-10-23(18-21)32-26-11-4-5-14-28-26;2-1-3/h2-11,16-17,19,25-26H,12-15,18H2,1H3,(H,31,34);1-11,14,17-18,24-25H,12-13,15-16,19H2,(H,29,31);/t25-,26+;24-,25+;/m00./s1
InChIKeyLVXGDJCUXSBEJD-IWFVHJIASA-N
XLogP10.44
TPSA169.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.11
LogP ≤ 510.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze carbon dioxide;methyl 6-[3-[[1-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]piperidin-4-ylidene]methyl]phenoxy]pyridine-3-carboxylate;N-[(1R,2S)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide with MolForge

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Related Compounds

N-[(1S,2R)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide
CID 167660103
6-[3-[[1-[[(2S)-2-phenylcyclopropyl]carbamoyl]piperidin-4-ylidene]methyl]phenoxy]pyridine-3-carboxylic acid
CID 166076341
N-[(1S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide
CID 166076245
N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide
CID 166076330
4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 166025737
5-methyl-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;phenyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate
CID 167665991
benzene;N-cyclopropyl-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide;ethane
CID 166076258
N-cyclopropyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;ethene
CID 171499902
tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]pyridine;2-fluoropyridine;N-(2-phenylcyclopropyl)-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;(3-pyridin-2-yloxyphenyl)methanol;thionyl dichloride
CID 167607750
4-[[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 166076228
4-[[3-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxylic acid
CID 66875745
tert-butyl 4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate
CID 68948434

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;methyl 6-[3-[[1-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]piperidin-4-ylidene]methyl]phenoxy]pyridine-3-carboxylate;N-[(1R,2S)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide?
The IUPAC name of carbon dioxide;methyl 6-[3-[[1-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]piperidin-4-ylidene]methyl]phenoxy]pyridine-3-carboxylate;N-[(1R,2S)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide (CID 167616777) is carbon dioxide;methyl 6-[3-[[1-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]piperidin-4-ylidene]methyl]phenoxy]pyridine-3-carboxylate;N-[(1R,2S)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide.
What is the SMILES notation for carbon dioxide;methyl 6-[3-[[1-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]piperidin-4-ylidene]methyl]phenoxy]pyridine-3-carboxylate;N-[(1R,2S)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide?
The canonical SMILES for carbon dioxide;methyl 6-[3-[[1-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]piperidin-4-ylidene]methyl]phenoxy]pyridine-3-carboxylate;N-[(1R,2S)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide is COC(=O)c1ccc(Oc2cccc(C=C3CCN(C(=O)N[C@@H]4C[C@H]4c4ccccc4)CC3)c2)nc1.O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ccccn3)c2)CC1.O=C=O.
What is the InChIKey of carbon dioxide;methyl 6-[3-[[1-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]piperidin-4-ylidene]methyl]phenoxy]pyridine-3-carboxylate;N-[(1R,2S)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide?
The InChIKey is LVXGDJCUXSBEJD-IWFVHJIASA-N. The full InChI is InChI=1S/C29H29N3O4.C27H27N3O2.CO2/c1-35-28(33)23-10-11-27(30-19-23)36-24-9-5-6-21(17-24)16-20-12-14-32(15-13-20)29(34)31-26-18-25(26)22-7-3-2-4-8-22;31-27(29-25-19-24(25)22-8-2-1-3-9-22)30-15-12-20(13-16-30)17-21-7-6-10-23(18-21)32-26-11-4-5-14-28-26;2-1-3/h2-11,16-17,19,25-26H,12-15,18H2,1H3,(H,31,34);1-11,14,17-18,24-25H,12-13,15-16,19H2,(H,29,31);/t25-,26+;24-,25+;/m00./s1.
What are the key properties of carbon dioxide;methyl 6-[3-[[1-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]piperidin-4-ylidene]methyl]phenoxy]pyridine-3-carboxylate;N-[(1R,2S)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide?
carbon dioxide;methyl 6-[3-[[1-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]piperidin-4-ylidene]methyl]phenoxy]pyridine-3-carboxylate;N-[(1R,2S)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide has a molecular weight of 953.11 g/mol, XLogP of 10.44, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;methyl 6-[3-[[1-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]piperidin-4-ylidene]methyl]phenoxy]pyridine-3-carboxylate;N-[(1R,2S)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide is sourced from PubChem (CID 167616777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).