3-[4-[[3-(1-cyclopentylpiperidin-4-yl)-4-methoxyphenyl]carbamoyl]phenyl]benzamide

C31H35N3O3 — CID 10255319

IUPAC3-[4-[[3-(1-cyclopentylpiperidin-4-yl)-4-methoxyphenyl]carbamoyl]phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cccc(C(N)=O)c3)cc2)cc1C1CCN(C2CCCC2)CC1
InChIInChI=1S/C31H35N3O3/c1-37-29-14-13-26(20-28(29)22-15-17-34(18-16-22)27-7-2-3-8-27)33-31(36)23-11-9-21(10-12-23)24-5-4-6-25(19-24)30(32)35/h4-6,9-14,19-20,22,27H,2-3,7-8,15-18H2,1H3,(H2,32,35)(H,33,36)
InChIKeyJNVHDINWTVEODM-UHFFFAOYSA-N
MW497.64 g/mol
LogP5.84
Rot. Bonds7

About 3-[4-[[3-(1-cyclopentylpiperidin-4-yl)-4-methoxyphenyl]carbamoyl]phenyl]benzamide

3-[4-[[3-(1-cyclopentylpiperidin-4-yl)-4-methoxyphenyl]carbamoyl]phenyl]benzamide (PubChem CID 10255319) has the molecular formula C31H35N3O3 and a molecular weight of 497.64 g/mol. Its IUPAC name is 3-[4-[[3-(1-cyclopentylpiperidin-4-yl)-4-methoxyphenyl]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-[4-[[3-(1-cyclopentylpiperidin-4-yl)-4-methoxyphenyl]carbamoyl]phenyl]benzamide
PubChem CID10255319
Molecular FormulaC31H35N3O3
Molecular Weight497.64 g/mol
Exact Mass497.27
IUPAC Name3-[4-[[3-(1-cyclopentylpiperidin-4-yl)-4-methoxyphenyl]carbamoyl]phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cccc(C(N)=O)c3)cc2)cc1C1CCN(C2CCCC2)CC1
InChIInChI=1S/C31H35N3O3/c1-37-29-14-13-26(20-28(29)22-15-17-34(18-16-22)27-7-2-3-8-27)33-31(36)23-11-9-21(10-12-23)24-5-4-6-25(19-24)30(32)35/h4-6,9-14,19-20,22,27H,2-3,7-8,15-18H2,1H3,(H2,32,35)(H,33,36)
InChIKeyJNVHDINWTVEODM-UHFFFAOYSA-N
XLogP5.84
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]benzamide
CID 10457091
4-[3-(cyanomethyl)phenyl]-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]benzamide
CID 10344530
1-[2-chloro-4-[3-(1-cyclohexylpiperidin-4-yl)-4-methoxyphenyl]phenyl]ethanone
CID 163426388
4-bromo-N-[4-methoxy-3-(1-methylpyrrolidin-3-yl)phenyl]benzamide
CID 54192702
N-(3,4-dimethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385896
4-[3-[1-(3-bicyclo[3.2.1]octanyl)piperidin-4-yl]-4-methoxyphenyl]-N-(1,3-thiazol-2-yl)benzamide
CID 58772243
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide
CID 53041755
methyl 4-[2-methoxy-5-[[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzoyl]amino]phenyl]piperidine-1-carboxylate
CID 54004051
N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]acetamide
CID 21472770
1-(3-cyclopentyl-4-methoxyphenyl)ethanone
CID 84683848
N-(2-cyclopentylbenzotriazol-5-yl)-4-methoxybenzamide
CID 14638297
N-[4-[3-[1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-methoxyphenyl]phenyl]acetamide
CID 58772355

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-(1-cyclopentylpiperidin-4-yl)-4-methoxyphenyl]carbamoyl]phenyl]benzamide?
The IUPAC name of 3-[4-[[3-(1-cyclopentylpiperidin-4-yl)-4-methoxyphenyl]carbamoyl]phenyl]benzamide (CID 10255319) is 3-[4-[[3-(1-cyclopentylpiperidin-4-yl)-4-methoxyphenyl]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 3-[4-[[3-(1-cyclopentylpiperidin-4-yl)-4-methoxyphenyl]carbamoyl]phenyl]benzamide?
The canonical SMILES for 3-[4-[[3-(1-cyclopentylpiperidin-4-yl)-4-methoxyphenyl]carbamoyl]phenyl]benzamide is COc1ccc(NC(=O)c2ccc(-c3cccc(C(N)=O)c3)cc2)cc1C1CCN(C2CCCC2)CC1.
What is the InChIKey of 3-[4-[[3-(1-cyclopentylpiperidin-4-yl)-4-methoxyphenyl]carbamoyl]phenyl]benzamide?
The InChIKey is JNVHDINWTVEODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O3/c1-37-29-14-13-26(20-28(29)22-15-17-34(18-16-22)27-7-2-3-8-27)33-31(36)23-11-9-21(10-12-23)24-5-4-6-25(19-24)30(32)35/h4-6,9-14,19-20,22,27H,2-3,7-8,15-18H2,1H3,(H2,32,35)(H,33,36).
What are the key properties of 3-[4-[[3-(1-cyclopentylpiperidin-4-yl)-4-methoxyphenyl]carbamoyl]phenyl]benzamide?
3-[4-[[3-(1-cyclopentylpiperidin-4-yl)-4-methoxyphenyl]carbamoyl]phenyl]benzamide has a molecular weight of 497.64 g/mol, XLogP of 5.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[3-(1-cyclopentylpiperidin-4-yl)-4-methoxyphenyl]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 10255319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).