N-[1-(cyclopentanecarbonyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide

C19H26N2O3 — CID 171142001

IUPACN-[1-(cyclopentanecarbonyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide
SMILESO=C(NC1CN(C(=O)C2CCCC2)CCC1CO)c1ccccc1
InChIInChI=1S/C19H26N2O3/c22-13-16-10-11-21(19(24)15-8-4-5-9-15)12-17(16)20-18(23)14-6-2-1-3-7-14/h1-3,6-7,15-17,22H,4-5,8-13H2,(H,20,23)
InChIKeyJDRWXONBVJOCPW-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.82
Rot. Bonds4

About N-[1-(cyclopentanecarbonyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide

N-[1-(cyclopentanecarbonyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide (PubChem CID 171142001) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[1-(cyclopentanecarbonyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-(cyclopentanecarbonyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide
PubChem CID171142001
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[1-(cyclopentanecarbonyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide
SMILESO=C(NC1CN(C(=O)C2CCCC2)CCC1CO)c1ccccc1
InChIInChI=1S/C19H26N2O3/c22-13-16-10-11-21(19(24)15-8-4-5-9-15)12-17(16)20-18(23)14-6-2-1-3-7-14/h1-3,6-7,15-17,22H,4-5,8-13H2,(H,20,23)
InChIKeyJDRWXONBVJOCPW-UHFFFAOYSA-N
XLogP1.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
N-[1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-4-(hydroxymethyl)piperidin-3-yl]benzamide
CID 156611150
N-[(3S,4S)-1-(furan-2-ylmethyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide
CID 91915719
N-(2-benzamidoethyl)-1-(cyclohexanecarbonyl)piperidine-4-carboxamide
CID 46104007
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 110801022
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-4-phenylbenzamide
CID 52898200
N-[(3S,4S)-4-(hydroxymethyl)piperidin-3-yl]benzamide
CID 71836746
N-[(3S,4R)-4-amino-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-(2-oxo-1-pyridinyl)benzamide
CID 58845419
N-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-(2-hydroxyphenyl)acetamide
CID 97014157
N-[1-[(2,6-difluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]benzamide
CID 171142642
N-[(1R,2R)-2-benzamidocyclohexyl]-1-propanoylpiperidine-4-carboxamide
CID 51071021
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentanecarbonyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide?
The IUPAC name of N-[1-(cyclopentanecarbonyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide (CID 171142001) is N-[1-(cyclopentanecarbonyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide.
What is the SMILES notation for N-[1-(cyclopentanecarbonyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide?
The canonical SMILES for N-[1-(cyclopentanecarbonyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide is O=C(NC1CN(C(=O)C2CCCC2)CCC1CO)c1ccccc1.
What is the InChIKey of N-[1-(cyclopentanecarbonyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide?
The InChIKey is JDRWXONBVJOCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-13-16-10-11-21(19(24)15-8-4-5-9-15)12-17(16)20-18(23)14-6-2-1-3-7-14/h1-3,6-7,15-17,22H,4-5,8-13H2,(H,20,23).
What are the key properties of N-[1-(cyclopentanecarbonyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide?
N-[1-(cyclopentanecarbonyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide has a molecular weight of 330.43 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentanecarbonyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 171142001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).