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

C62H64N6O5 — CID 167665991

IUPAC5-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
SMILESCc1ccc(Oc2cccc(C=C3CCN(C(=O)N[C@@H]4C[C@H]4c4ccccc4)CC3)c2)nc1.Cc1ccc(Oc2cccc(C=C3CCNCC3)c2)nc1.O=C(N[C@@H]1C[C@H]1c1ccccc1)Oc1ccccc1
InChIInChI=1S/C28H29N3O2.C18H20N2O.C16H15NO2/c1-20-10-11-27(29-19-20)33-24-9-5-6-22(17-24)16-21-12-14-31(15-13-21)28(32)30-26-18-25(26)23-7-3-2-4-8-23;1-14-5-6-18(20-13-14)21-17-4-2-3-16(12-17)11-15-7-9-19-10-8-15;18-16(19-13-9-5-2-6-10-13)17-15-11-14(15)12-7-3-1-4-8-12/h2-11,16-17,19,25-26H,12-15,18H2,1H3,(H,30,32);2-6,11-13,19H,7-10H2,1H3;1-10,14-15H,11H2,(H,17,18)/t25-,26+;;14-,15+/m0.0/s1
InChIKeySQMFMVOWXYBNHT-TYPKTOJBSA-N
MW973.23 g/mol
LogP13.21
Rot. Bonds11

About 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

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 (PubChem CID 167665991) has the molecular formula C62H64N6O5 and a molecular weight of 973.23 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID167665991
Molecular FormulaC62H64N6O5
Molecular Weight973.23 g/mol
Exact Mass972.49
IUPAC Name5-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
SMILESCc1ccc(Oc2cccc(C=C3CCN(C(=O)N[C@@H]4C[C@H]4c4ccccc4)CC3)c2)nc1.Cc1ccc(Oc2cccc(C=C3CCNCC3)c2)nc1.O=C(N[C@@H]1C[C@H]1c1ccccc1)Oc1ccccc1
InChIInChI=1S/C28H29N3O2.C18H20N2O.C16H15NO2/c1-20-10-11-27(29-19-20)33-24-9-5-6-22(17-24)16-21-12-14-31(15-13-21)28(32)30-26-18-25(26)23-7-3-2-4-8-23;1-14-5-6-18(20-13-14)21-17-4-2-3-16(12-17)11-15-7-9-19-10-8-15;18-16(19-13-9-5-2-6-10-13)17-15-11-14(15)12-7-3-1-4-8-12/h2-11,16-17,19,25-26H,12-15,18H2,1H3,(H,30,32);2-6,11-13,19H,7-10H2,1H3;1-10,14-15H,11H2,(H,17,18)/t25-,26+;;14-,15+/m0.0/s1
InChIKeySQMFMVOWXYBNHT-TYPKTOJBSA-N
XLogP13.21
TPSA126.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.23
LogP ≤ 513.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(Oc2cccc(C=C3CCN(C(=O)N[C@@H]4C[C@H]4c4ccccc4)CC3)c2)nc1.Cc1ccc(Oc2cccc(C=C3CCNCC3)c2)nc1.O=C(N[C@@H]1C[C@H]1c1ccccc1)Oc1ccccc1.
What is the InChIKey of 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?
The InChIKey is SQMFMVOWXYBNHT-TYPKTOJBSA-N. The full InChI is InChI=1S/C28H29N3O2.C18H20N2O.C16H15NO2/c1-20-10-11-27(29-19-20)33-24-9-5-6-22(17-24)16-21-12-14-31(15-13-21)28(32)30-26-18-25(26)23-7-3-2-4-8-23;1-14-5-6-18(20-13-14)21-17-4-2-3-16(12-17)11-15-7-9-19-10-8-15;18-16(19-13-9-5-2-6-10-13)17-15-11-14(15)12-7-3-1-4-8-12/h2-11,16-17,19,25-26H,12-15,18H2,1H3,(H,30,32);2-6,11-13,19H,7-10H2,1H3;1-10,14-15H,11H2,(H,17,18)/t25-,26+;;14-,15+/m0.0/s1.
What are the key properties of 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?
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 has a molecular weight of 973.23 g/mol, XLogP of 13.21, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167665991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).