3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide

C17H30N4O2 — CID 119483653

IUPAC3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
SMILESNCC1CCN(C(=O)C2CCCN(C(=O)NC3CCCC3)C2)C1
InChIInChI=1S/C17H30N4O2/c18-10-13-7-9-20(11-13)16(22)14-4-3-8-21(12-14)17(23)19-15-5-1-2-6-15/h13-15H,1-12,18H2,(H,19,23)
InChIKeyOYGLIOGYGXKROI-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.16
Rot. Bonds3

About 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide

3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide (PubChem CID 119483653) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
PubChem CID119483653
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
SMILESNCC1CCN(C(=O)C2CCCN(C(=O)NC3CCCC3)C2)C1
InChIInChI=1S/C17H30N4O2/c18-10-13-7-9-20(11-13)16(22)14-4-3-8-21(12-14)17(23)19-15-5-1-2-6-15/h13-15H,1-12,18H2,(H,19,23)
InChIKeyOYGLIOGYGXKROI-UHFFFAOYSA-N
XLogP1.16
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-cyclohexylpyrrolidine-1-carboxamide
CID 62061626
3-(aminomethyl)-N-cyclobutylpiperidine-1-carboxamide
CID 82508340
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone
CID 62067909
1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119353705
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260304
[3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 65019049
[3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260151
3-[4-(3-aminopropoxy)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 119661869
(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-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 119593119
(3R)-1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 7435356
3-N-cyclohexyl-1-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 51055483

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide?
The IUPAC name of 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide (CID 119483653) is 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide?
The canonical SMILES for 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide is NCC1CCN(C(=O)C2CCCN(C(=O)NC3CCCC3)C2)C1.
What is the InChIKey of 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide?
The InChIKey is OYGLIOGYGXKROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c18-10-13-7-9-20(11-13)16(22)14-4-3-8-21(12-14)17(23)19-15-5-1-2-6-15/h13-15H,1-12,18H2,(H,19,23).
What are the key properties of 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide?
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide is sourced from PubChem (CID 119483653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).