N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide

C16H29N3O2 — CID 119567956

IUPACN-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCC(CC(=O)NC1(CN)CCCC1)NC(=O)C1CCCC1
InChIInChI=1S/C16H29N3O2/c1-12(18-15(21)13-6-2-3-7-13)10-14(20)19-16(11-17)8-4-5-9-16/h12-13H,2-11,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyQNGYRTUZLHCCKX-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.46
Rot. Bonds6

About N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide

N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide (PubChem CID 119567956) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
PubChem CID119567956
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCC(CC(=O)NC1(CN)CCCC1)NC(=O)C1CCCC1
InChIInChI=1S/C16H29N3O2/c1-12(18-15(21)13-6-2-3-7-13)10-14(20)19-16(11-17)8-4-5-9-16/h12-13H,2-11,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyQNGYRTUZLHCCKX-UHFFFAOYSA-N
XLogP1.46
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 119565580
N-[4-[(1-hydroxycycloheptyl)methylamino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111428746
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119589615
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate
CID 95609074
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid
CID 119244671
N-[1-(aminomethyl)cyclopentyl]-3-methylhexanamide
CID 119566665
N-[4-[[2-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 119604609
N-[1-(aminomethyl)-4-methylcyclohexyl]cyclopentanecarboxamide
CID 55241583
N-[4-[2-(methylamino)ethylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119500807
N-[4-[2-(methylamino)propylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 120831062
N-(1-hydroxypropan-2-yl)cyclobutanecarboxamide
CID 43418906

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide (CID 119567956) is N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide is CC(CC(=O)NC1(CN)CCCC1)NC(=O)C1CCCC1.
What is the InChIKey of N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The InChIKey is QNGYRTUZLHCCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12(18-15(21)13-6-2-3-7-13)10-14(20)19-16(11-17)8-4-5-9-16/h12-13H,2-11,17H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide has a molecular weight of 295.43 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 119567956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).