N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide

C17H27N3O — CID 119383721

IUPACN-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide
SMILESCC(C(=O)NCCN)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-14(17(21)19-10-9-18)20-11-7-16(8-12-20)13-15-5-3-2-4-6-15/h2-6,14,16H,7-13,18H2,1H3,(H,19,21)
InChIKeyGOAKELYKPCPLTO-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.40
Rot. Bonds6

About N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide

N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide (PubChem CID 119383721) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide
PubChem CID119383721
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide
SMILESCC(C(=O)NCCN)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-14(17(21)19-10-9-18)20-11-7-16(8-12-20)13-15-5-3-2-4-6-15/h2-6,14,16H,7-13,18H2,1H3,(H,19,21)
InChIKeyGOAKELYKPCPLTO-UHFFFAOYSA-N
XLogP1.40
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769
2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119502046
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
(2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 9430598
2-(4-benzylpiperidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride
CID 119535685
2-(4-benzylpiperidin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120949029
2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 45258253
N-[2-(aminomethyl)cyclopentyl]-2-(4-benzylpiperidin-1-yl)propanamide
CID 119602815
(2S)-2-[2-(4-benzylpiperidin-1-yl)propanoylamino]hexanoic acid
CID 120614792
1-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperidine-4-carboxamide
CID 9443521
[(2S)-1-amino-1-oxopropan-2-yl] (2R)-2-(4-benzylpiperidin-1-yl)propanoate
CID 95309429
(2S)-2-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)propanamide
CID 9430606

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide?
The IUPAC name of N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide (CID 119383721) is N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide is CC(C(=O)NCCN)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide?
The InChIKey is GOAKELYKPCPLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(17(21)19-10-9-18)20-11-7-16(8-12-20)13-15-5-3-2-4-6-15/h2-6,14,16H,7-13,18H2,1H3,(H,19,21).
What are the key properties of N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide?
N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide has a molecular weight of 289.42 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide is sourced from PubChem (CID 119383721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).