N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxybenzamide

C22H32N2O3 — CID 108549239

IUPACN-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1CCN(C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C22H32N2O3/c1-27-20-10-6-5-9-19(20)22(26)23-18-13-15-24(16-14-18)21(25)12-11-17-7-3-2-4-8-17/h5-6,9-10,17-18H,2-4,7-8,11-16H2,1H3,(H,23,26)
InChIKeyGRBGYLFWNPIPHO-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.78
Rot. Bonds6

About N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxybenzamide

N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxybenzamide (PubChem CID 108549239) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxybenzamide
PubChem CID108549239
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC NameN-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1CCN(C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C22H32N2O3/c1-27-20-10-6-5-9-19(20)22(26)23-18-13-15-24(16-14-18)21(25)12-11-17-7-3-2-4-8-17/h5-6,9-10,17-18H,2-4,7-8,11-16H2,1H3,(H,23,26)
InChIKeyGRBGYLFWNPIPHO-UHFFFAOYSA-N
XLogP3.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554734
2-methoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549234
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-methoxybenzamide
CID 108549245
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-4-phenylbenzamide
CID 108549480
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxybenzamide
CID 108559283
methyl N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]carbamate
CID 108566198
3-cyclohexyl-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108555663
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 110820045
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108552919
N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-2-methoxybenzamide
CID 108549210
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-3-methoxypropanamide
CID 108556221

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxybenzamide?
The IUPAC name of N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxybenzamide (CID 108549239) is N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxybenzamide?
The canonical SMILES for N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxybenzamide is COc1ccccc1C(=O)NC1CCN(C(=O)CCC2CCCCC2)CC1.
What is the InChIKey of N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxybenzamide?
The InChIKey is GRBGYLFWNPIPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-27-20-10-6-5-9-19(20)22(26)23-18-13-15-24(16-14-18)21(25)12-11-17-7-3-2-4-8-17/h5-6,9-10,17-18H,2-4,7-8,11-16H2,1H3,(H,23,26).
What are the key properties of N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxybenzamide?
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxybenzamide has a molecular weight of 372.51 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxybenzamide is sourced from PubChem (CID 108549239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).