3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide

C19H34N4O2 — CID 119593119

IUPAC3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
SMILESCC(N)C1CCCN(C(=O)C2CCCN(C(=O)NC3CCCC3)C2)C1
InChIInChI=1S/C19H34N4O2/c1-14(20)15-6-4-10-22(12-15)18(24)16-7-5-11-23(13-16)19(25)21-17-8-2-3-9-17/h14-17H,2-13,20H2,1H3,(H,21,25)
InChIKeyVQPDWQKQKHQKQN-UHFFFAOYSA-N
MW350.51 g/mol
LogP1.94
Rot. Bonds3

About 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide

3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide (PubChem CID 119593119) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
PubChem CID119593119
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC Name3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
SMILESCC(N)C1CCCN(C(=O)C2CCCN(C(=O)NC3CCCC3)C2)C1
InChIInChI=1S/C19H34N4O2/c1-14(20)15-6-4-10-22(12-15)18(24)16-7-5-11-23(13-16)19(25)21-17-8-2-3-9-17/h14-17H,2-13,20H2,1H3,(H,21,25)
InChIKeyVQPDWQKQKHQKQN-UHFFFAOYSA-N
XLogP1.94
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-aminoethyl)-N-cyclopentylpyrrolidine-1-carboxamide
CID 103975960
[3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride
CID 119595993
[3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260950
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 119594752
[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclooctylmethanone
CID 112630786
1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119353705
(3R)-3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 97080257
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 119483653
[2-[3-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-pyrrolidin-1-ylmethanone
CID 119594689
1-[2-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea
CID 99776111
1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118029
N-cyclohexyl-4-propan-2-ylazepane-1-carboxamide
CID 115629287

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide?
The IUPAC name of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide (CID 119593119) is 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide?
The canonical SMILES for 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide is CC(N)C1CCCN(C(=O)C2CCCN(C(=O)NC3CCCC3)C2)C1.
What is the InChIKey of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide?
The InChIKey is VQPDWQKQKHQKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2/c1-14(20)15-6-4-10-22(12-15)18(24)16-7-5-11-23(13-16)19(25)21-17-8-2-3-9-17/h14-17H,2-13,20H2,1H3,(H,21,25).
What are the key properties of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide?
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide has a molecular weight of 350.51 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide is sourced from PubChem (CID 119593119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).