N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide

C21H25N3O2 — CID 119436674

IUPACN-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide
SMILESCC(N)C1CCCCN1C(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H25N3O2/c1-15(22)19-9-5-6-14-24(19)21(26)17-10-12-18(13-11-17)23-20(25)16-7-3-2-4-8-16/h2-4,7-8,10-13,15,19H,5-6,9,14,22H2,1H3,(H,23,25)
InChIKeyPFJOHXQIHSMBSS-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.28
Rot. Bonds4

About N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide

N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide (PubChem CID 119436674) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide
PubChem CID119436674
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide
SMILESCC(N)C1CCCCN1C(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H25N3O2/c1-15(22)19-9-5-6-14-24(19)21(26)17-10-12-18(13-11-17)23-20(25)16-7-3-2-4-8-16/h2-4,7-8,10-13,15,19H,5-6,9,14,22H2,1H3,(H,23,25)
InChIKeyPFJOHXQIHSMBSS-UHFFFAOYSA-N
XLogP3.28
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride
CID 119436705
1-(4-benzamidobenzoyl)piperidine-2-carboxylic acid
CID 119175893
[2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119435796
(2R,3R)-1-(4-benzamidobenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122115249
1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 119435979
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 119434986
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038925
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038922
1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 46384509
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide;hydrochloride
CID 119436878
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124689263
[2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 63254989

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide?
The IUPAC name of N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide (CID 119436674) is N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide?
The canonical SMILES for N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide is CC(N)C1CCCCN1C(=O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide?
The InChIKey is PFJOHXQIHSMBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15(22)19-9-5-6-14-24(19)21(26)17-10-12-18(13-11-17)23-20(25)16-7-3-2-4-8-16/h2-4,7-8,10-13,15,19H,5-6,9,14,22H2,1H3,(H,23,25).
What are the key properties of N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide?
N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide is sourced from PubChem (CID 119436674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).