N-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide

C21H25N3O2 — CID 119595079

IUPACN-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide
SMILESCC(N)C1CCCN(C(=O)c2ccccc2NC(=O)c2ccccc2)C1
InChIInChI=1S/C21H25N3O2/c1-15(22)17-10-7-13-24(14-17)21(26)18-11-5-6-12-19(18)23-20(25)16-8-3-2-4-9-16/h2-6,8-9,11-12,15,17H,7,10,13-14,22H2,1H3,(H,23,25)
InChIKeyZFFSXHKLYYCFMD-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.14
Rot. Bonds4

About N-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide

N-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide (PubChem CID 119595079) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide
PubChem CID119595079
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide
SMILESCC(N)C1CCCN(C(=O)c2ccccc2NC(=O)c2ccccc2)C1
InChIInChI=1S/C21H25N3O2/c1-15(22)17-10-7-13-24(14-17)21(26)18-11-5-6-12-19(18)23-20(25)16-8-3-2-4-9-16/h2-6,8-9,11-12,15,17H,7,10,13-14,22H2,1H3,(H,23,25)
InChIKeyZFFSXHKLYYCFMD-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone;hydrochloride
CID 119592633
N-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride
CID 119594102
4-fluoro-N-[2-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]benzamide
CID 7299794
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-benzylphenyl)methanone
CID 125135374
[3-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone;hydrochloride
CID 119595456
[3-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]phenyl]methanone
CID 119595883
[3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830655
4-methoxy-N-[2-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzamide
CID 119493451
N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylbenzamide
CID 43903864
[3-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119594584
N-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide
CID 119540740
[3-(1-aminoethyl)piperidin-1-yl]-[2-(2-methoxyethoxy)phenyl]methanone;hydrochloride
CID 119596410

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide?
The IUPAC name of N-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide (CID 119595079) is N-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide.
What is the SMILES notation for N-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide?
The canonical SMILES for N-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide is CC(N)C1CCCN(C(=O)c2ccccc2NC(=O)c2ccccc2)C1.
What is the InChIKey of N-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide?
The InChIKey is ZFFSXHKLYYCFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15(22)17-10-7-13-24(14-17)21(26)18-11-5-6-12-19(18)23-20(25)16-8-3-2-4-9-16/h2-6,8-9,11-12,15,17H,7,10,13-14,22H2,1H3,(H,23,25).
What are the key properties of N-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide?
N-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide is sourced from PubChem (CID 119595079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).