N-[1-(3-benzamidophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide

C22H27N3O3 — CID 87003800

IUPACN-[1-(3-benzamidophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC(CO)C1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H27N3O3/c1-16(23-22(28)25-12-6-7-17(14-25)15-26)19-10-5-11-20(13-19)24-21(27)18-8-3-2-4-9-18/h2-5,8-11,13,16-17,26H,6-7,12,14-15H2,1H3,(H,23,28)(H,24,27)
InChIKeyJPXLJKAJHXJWGW-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.41
Rot. Bonds5

About N-[1-(3-benzamidophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide

N-[1-(3-benzamidophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 87003800) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[1-(3-benzamidophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-benzamidophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID87003800
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[1-(3-benzamidophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC(CO)C1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H27N3O3/c1-16(23-22(28)25-12-6-7-17(14-25)15-26)19-10-5-11-20(13-19)24-21(27)18-8-3-2-4-9-18/h2-5,8-11,13,16-17,26H,6-7,12,14-15H2,1H3,(H,23,28)(H,24,27)
InChIKeyJPXLJKAJHXJWGW-UHFFFAOYSA-N
XLogP3.41
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-benzamidophenyl)ethyl]pyrrolidine-1-carboxamide
CID 87003801
N-[3-[1-[(2-cyclohexylacetyl)amino]ethyl]phenyl]benzamide
CID 46456437
N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110901455
3-(hydroxymethyl)-N-[3-(1-methoxyethyl)phenyl]piperidine-1-carboxamide
CID 110923971
N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580
(3R)-3-(hydroxymethyl)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 95969134
(3R)-N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide
CID 95598565
N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 110900071
4-tert-butyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide
CID 171152885
3-(hydroxymethyl)-N-(1-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 111443508
3-(hydroxymethyl)-N-[(4-methylphenyl)-phenylmethyl]piperidine-1-carboxamide
CID 110882604
(3R)-N-(3-methylphenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
CID 95093939

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzamidophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(3-benzamidophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide (CID 87003800) is N-[1-(3-benzamidophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(3-benzamidophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(3-benzamidophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide is CC(NC(=O)N1CCCC(CO)C1)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[1-(3-benzamidophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is JPXLJKAJHXJWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16(23-22(28)25-12-6-7-17(14-25)15-26)19-10-5-11-20(13-19)24-21(27)18-8-3-2-4-9-18/h2-5,8-11,13,16-17,26H,6-7,12,14-15H2,1H3,(H,23,28)(H,24,27).
What are the key properties of N-[1-(3-benzamidophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
N-[1-(3-benzamidophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzamidophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 87003800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).