N-[4-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide

C28H36N4O2 — CID 90011465

IUPACN-[4-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
SMILESCC1(C(=O)N2CCC(c3ccc(NC(=O)N4CC(c5cccnc5)C4)cc3)CC2)CCCCC1
InChIInChI=1S/C28H36N4O2/c1-28(13-3-2-4-14-28)26(33)31-16-11-22(12-17-31)21-7-9-25(10-8-21)30-27(34)32-19-24(20-32)23-6-5-15-29-18-23/h5-10,15,18,22,24H,2-4,11-14,16-17,19-20H2,1H3,(H,30,34)
InChIKeyVJWZIFXVRPCNND-UHFFFAOYSA-N
MW460.62 g/mol
LogP5.39
Rot. Bonds4

About N-[4-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide

N-[4-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide (PubChem CID 90011465) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is N-[4-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
PubChem CID90011465
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC NameN-[4-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
SMILESCC1(C(=O)N2CCC(c3ccc(NC(=O)N4CC(c5cccnc5)C4)cc3)CC2)CCCCC1
InChIInChI=1S/C28H36N4O2/c1-28(13-3-2-4-14-28)26(33)31-16-11-22(12-17-31)21-7-9-25(10-8-21)30-27(34)32-19-24(20-32)23-6-5-15-29-18-23/h5-10,15,18,22,24H,2-4,11-14,16-17,19-20H2,1H3,(H,30,34)
InChIKeyVJWZIFXVRPCNND-UHFFFAOYSA-N
XLogP5.39
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90010961
N-[4-[1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011224
N-[4-[1-[2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]piperidin-4-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011053
N-[4-[1-(3-methylpentanoyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011322
N-[4-[1-(2-cyclohexylacetyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011040
N-[4-[(3R)-1-(2-cyclohexylacetyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011037
N-[4-[(3S)-1-[(2S)-2-methylbutanoyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 86288688
(3R)-3-(4-methoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 94824028
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
N-[4-[(3R)-1-(3-piperidin-1-ylpropanoyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90010939
N-[4-[1-[(2S)-oxolane-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011158
N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 97278305

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide?
The IUPAC name of N-[4-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide (CID 90011465) is N-[4-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide.
What is the SMILES notation for N-[4-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide?
The canonical SMILES for N-[4-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide is CC1(C(=O)N2CCC(c3ccc(NC(=O)N4CC(c5cccnc5)C4)cc3)CC2)CCCCC1.
What is the InChIKey of N-[4-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide?
The InChIKey is VJWZIFXVRPCNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-28(13-3-2-4-14-28)26(33)31-16-11-22(12-17-31)21-7-9-25(10-8-21)30-27(34)32-19-24(20-32)23-6-5-15-29-18-23/h5-10,15,18,22,24H,2-4,11-14,16-17,19-20H2,1H3,(H,30,34).
What are the key properties of N-[4-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide?
N-[4-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide has a molecular weight of 460.62 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide is sourced from PubChem (CID 90011465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).