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

C17H30N4O2 — CID 119567885

IUPACN-[1-(aminomethyl)cyclopentyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESNCC1(NC(=O)C2CCCN(C(=O)N3CCCC3)C2)CCCC1
InChIInChI=1S/C17H30N4O2/c18-13-17(7-1-2-8-17)19-15(22)14-6-5-11-21(12-14)16(23)20-9-3-4-10-20/h14H,1-13,18H2,(H,19,22)
InChIKeyNLEOVXBZMJEEGP-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.30
Rot. Bonds3

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

N-[1-(aminomethyl)cyclopentyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 119567885) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
PubChem CID119567885
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESNCC1(NC(=O)C2CCCN(C(=O)N3CCCC3)C2)CCCC1
InChIInChI=1S/C17H30N4O2/c18-13-17(7-1-2-8-17)19-15(22)14-6-5-11-21(12-14)16(23)20-9-3-4-10-20/h14H,1-13,18H2,(H,19,22)
InChIKeyNLEOVXBZMJEEGP-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-[1-(aminomethyl)cyclopentyl]piperidine-3-carboxamide
CID 119565447
N-[1-(aminomethyl)cyclopentyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119565789
N-[1-(aminomethyl)cyclooctyl]azepane-1-carboxamide
CID 79151741
N-[1-(aminomethyl)cyclopentyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 119568233
N-[1-(aminomethyl)cyclopentyl]-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119568326
2-[1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclopropyl]acetic acid
CID 167826404
N-[1-(aminomethyl)cyclopentyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 119567883
N-[1-(aminomethyl)-4-methylcyclohexyl]cyclopentanecarboxamide
CID 55241583
N-[1-(aminomethyl)cyclopentyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide;hydrochloride
CID 119568257
N-methyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]piperidine-3-carboxamide
CID 103195278
(3R)-1-(8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid
CID 81121128
N-(4-aminocyclohexyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119478354

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (CID 119567885) is N-[1-(aminomethyl)cyclopentyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is NCC1(NC(=O)C2CCCN(C(=O)N3CCCC3)C2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is NLEOVXBZMJEEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c18-13-17(7-1-2-8-17)19-15(22)14-6-5-11-21(12-14)16(23)20-9-3-4-10-20/h14H,1-13,18H2,(H,19,22).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
N-[1-(aminomethyl)cyclopentyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 119567885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).