cyclopropylbenzene;2-cyclopropylcyclohexa-1,3-diene;ethane;4-[[3-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide;4-[[3-[(6-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide

C56H66N6O6 — CID 171499936

IUPACcyclopropylbenzene;2-cyclopropylcyclohexa-1,3-diene;ethane;4-[[3-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide;4-[[3-[(6-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESC1=CC(C2CC2)=CCC1.CC.NC(=O)N1CCC(=Cc2cccc(Oc3cc(=O)cc[nH]3)c2)CC1.NC(=O)N1CCC(=Cc2cccc(Oc3cccc(=O)[nH]3)c2)CC1.c1ccc(C2CC2)cc1
InChIInChI=1S/2C18H19N3O3.C9H12.C9H10.C2H6/c19-18(23)21-9-7-13(8-10-21)11-14-3-1-4-15(12-14)24-17-6-2-5-16(22)20-17;19-18(23)21-8-5-13(6-9-21)10-14-2-1-3-16(11-14)24-17-12-15(22)4-7-20-17;2*1-2-4-8(5-3-1)9-6-7-9;1-2/h1-6,11-12H,7-10H2,(H2,19,23)(H,20,22);1-4,7,10-12H,5-6,8-9H2,(H2,19,23)(H,20,22);2,4-5,9H,1,3,6-7H2;1-5,9H,6-7H2;1-2H3
InChIKeyDEAUJIJAEGVGDY-UHFFFAOYSA-N
MW919.18 g/mol
LogP11.71
Rot. Bonds8

About cyclopropylbenzene;2-cyclopropylcyclohexa-1,3-diene;ethane;4-[[3-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide;4-[[3-[(6-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide

cyclopropylbenzene;2-cyclopropylcyclohexa-1,3-diene;ethane;4-[[3-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide;4-[[3-[(6-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide (PubChem CID 171499936) has the molecular formula C56H66N6O6 and a molecular weight of 919.18 g/mol. Its IUPAC name is cyclopropylbenzene;2-cyclopropylcyclohexa-1,3-diene;ethane;4-[[3-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide;4-[[3-[(6-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide.

Molecular Properties

Compound Namecyclopropylbenzene;2-cyclopropylcyclohexa-1,3-diene;ethane;4-[[3-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide;4-[[3-[(6-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide
PubChem CID171499936
Molecular FormulaC56H66N6O6
Molecular Weight919.18 g/mol
Exact Mass918.50
IUPAC Namecyclopropylbenzene;2-cyclopropylcyclohexa-1,3-diene;ethane;4-[[3-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide;4-[[3-[(6-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESC1=CC(C2CC2)=CCC1.CC.NC(=O)N1CCC(=Cc2cccc(Oc3cc(=O)cc[nH]3)c2)CC1.NC(=O)N1CCC(=Cc2cccc(Oc3cccc(=O)[nH]3)c2)CC1.c1ccc(C2CC2)cc1
InChIInChI=1S/2C18H19N3O3.C9H12.C9H10.C2H6/c19-18(23)21-9-7-13(8-10-21)11-14-3-1-4-15(12-14)24-17-6-2-5-16(22)20-17;19-18(23)21-8-5-13(6-9-21)10-14-2-1-3-16(11-14)24-17-12-15(22)4-7-20-17;2*1-2-4-8(5-3-1)9-6-7-9;1-2/h1-6,11-12H,7-10H2,(H2,19,23)(H,20,22);1-4,7,10-12H,5-6,8-9H2,(H2,19,23)(H,20,22);2,4-5,9H,1,3,6-7H2;1-5,9H,6-7H2;1-2H3
InChIKeyDEAUJIJAEGVGDY-UHFFFAOYSA-N
XLogP11.71
TPSA176.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.18
LogP ≤ 511.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze cyclopropylbenzene;2-cyclopropylcyclohexa-1,3-diene;ethane;4-[[3-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide;4-[[3-[(6-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide with MolForge

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Related Compounds

cyclopropylbenzene;4-[(3-pyrrolidin-1-ylphenyl)methylidene]piperidine-1-carboxamide
CID 166076220
ethane;ethyl 2-(4-benzylidenepiperidin-1-yl)-2-oxoacetate
CID 91434018
4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 166025737
4-[[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 166076228
N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide
CID 166076330
N-[(1S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide
CID 166076245
benzene;N-cyclopropyl-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide;ethane
CID 166076258
cyclopropylbenzene;ethane;phenyl carbamate
CID 166076294
N-[(1S,2R)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide
CID 167660103
6-phenoxy-1H-pyridin-2-one
CID 18996460
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
N-methyl-2-oxo-3-[(3-phenoxyphenyl)methylidene]pyrrolidine-1-carboxamide
CID 67697609

Frequently Asked Questions

What is the IUPAC name of cyclopropylbenzene;2-cyclopropylcyclohexa-1,3-diene;ethane;4-[[3-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide;4-[[3-[(6-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide?
The IUPAC name of cyclopropylbenzene;2-cyclopropylcyclohexa-1,3-diene;ethane;4-[[3-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide;4-[[3-[(6-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide (CID 171499936) is cyclopropylbenzene;2-cyclopropylcyclohexa-1,3-diene;ethane;4-[[3-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide;4-[[3-[(6-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide.
What is the SMILES notation for cyclopropylbenzene;2-cyclopropylcyclohexa-1,3-diene;ethane;4-[[3-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide;4-[[3-[(6-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide?
The canonical SMILES for cyclopropylbenzene;2-cyclopropylcyclohexa-1,3-diene;ethane;4-[[3-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide;4-[[3-[(6-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide is C1=CC(C2CC2)=CCC1.CC.NC(=O)N1CCC(=Cc2cccc(Oc3cc(=O)cc[nH]3)c2)CC1.NC(=O)N1CCC(=Cc2cccc(Oc3cccc(=O)[nH]3)c2)CC1.c1ccc(C2CC2)cc1.
What is the InChIKey of cyclopropylbenzene;2-cyclopropylcyclohexa-1,3-diene;ethane;4-[[3-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide;4-[[3-[(6-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide?
The InChIKey is DEAUJIJAEGVGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H19N3O3.C9H12.C9H10.C2H6/c19-18(23)21-9-7-13(8-10-21)11-14-3-1-4-15(12-14)24-17-6-2-5-16(22)20-17;19-18(23)21-8-5-13(6-9-21)10-14-2-1-3-16(11-14)24-17-12-15(22)4-7-20-17;2*1-2-4-8(5-3-1)9-6-7-9;1-2/h1-6,11-12H,7-10H2,(H2,19,23)(H,20,22);1-4,7,10-12H,5-6,8-9H2,(H2,19,23)(H,20,22);2,4-5,9H,1,3,6-7H2;1-5,9H,6-7H2;1-2H3.
What are the key properties of cyclopropylbenzene;2-cyclopropylcyclohexa-1,3-diene;ethane;4-[[3-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide;4-[[3-[(6-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide?
cyclopropylbenzene;2-cyclopropylcyclohexa-1,3-diene;ethane;4-[[3-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide;4-[[3-[(6-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide has a molecular weight of 919.18 g/mol, XLogP of 11.71, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylbenzene;2-cyclopropylcyclohexa-1,3-diene;ethane;4-[[3-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide;4-[[3-[(6-oxo-1H-pyridin-2-yl)oxy]phenyl]methylidene]piperidine-1-carboxamide is sourced from PubChem (CID 171499936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).