N-(2-aminoethyl)-1-(2-benzylbenzoyl)piperidine-3-carboxamide

C22H27N3O2 — CID 119480881

IUPACN-(2-aminoethyl)-1-(2-benzylbenzoyl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)c2ccccc2Cc2ccccc2)C1
InChIInChI=1S/C22H27N3O2/c23-12-13-24-21(26)19-10-6-14-25(16-19)22(27)20-11-5-4-9-18(20)15-17-7-2-1-3-8-17/h1-5,7-9,11,19H,6,10,12-16,23H2,(H,24,26)
InChIKeyROMHMYPXIYDIEK-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.20
Rot. Bonds6

About N-(2-aminoethyl)-1-(2-benzylbenzoyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(2-benzylbenzoyl)piperidine-3-carboxamide (PubChem CID 119480881) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(2-benzylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(2-benzylbenzoyl)piperidine-3-carboxamide
PubChem CID119480881
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-(2-aminoethyl)-1-(2-benzylbenzoyl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)c2ccccc2Cc2ccccc2)C1
InChIInChI=1S/C22H27N3O2/c23-12-13-24-21(26)19-10-6-14-25(16-19)22(27)20-11-5-4-9-18(20)15-17-7-2-1-3-8-17/h1-5,7-9,11,19H,6,10,12-16,23H2,(H,24,26)
InChIKeyROMHMYPXIYDIEK-UHFFFAOYSA-N
XLogP2.20
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-benzylbenzoyl)piperidine-3-carboxylic acid
CID 45429245
N-(2-aminoethyl)-1-(2-iodobenzoyl)piperidine-3-carboxamide
CID 63251979
azocan-1-yl-(2-benzylphenyl)methanone
CID 112793165
N-(2-aminoethyl)-1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119479884
N-(2-aminoethyl)-1-[2-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481079
(3S)-1-(2-chlorobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94082332
N-(2-aminoethyl)-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119479488
N-(2-aminoethyl)-1-(5-phenyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119480719
N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119480906
(3S)-1-(2-benzylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703438
N-(2-aminoethyl)-1-(2-phenyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide
CID 119482163
(2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110878417

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(2-benzylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(2-benzylbenzoyl)piperidine-3-carboxamide (CID 119480881) is N-(2-aminoethyl)-1-(2-benzylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(2-benzylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(2-benzylbenzoyl)piperidine-3-carboxamide is NCCNC(=O)C1CCCN(C(=O)c2ccccc2Cc2ccccc2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(2-benzylbenzoyl)piperidine-3-carboxamide?
The InChIKey is ROMHMYPXIYDIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c23-12-13-24-21(26)19-10-6-14-25(16-19)22(27)20-11-5-4-9-18(20)15-17-7-2-1-3-8-17/h1-5,7-9,11,19H,6,10,12-16,23H2,(H,24,26).
What are the key properties of N-(2-aminoethyl)-1-(2-benzylbenzoyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(2-benzylbenzoyl)piperidine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(2-benzylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 119480881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).