3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide

C17H33N3O — CID 119852751

IUPAC3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide
SMILESCC1CC(C)CN(CCCCNC(=O)C2CCC(N)C2)C1
InChIInChI=1S/C17H33N3O/c1-13-9-14(2)12-20(11-13)8-4-3-7-19-17(21)15-5-6-16(18)10-15/h13-16H,3-12,18H2,1-2H3,(H,19,21)
InChIKeyZACSJSWXINVIFE-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.99
Rot. Bonds6

About 3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide

3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide (PubChem CID 119852751) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide
PubChem CID119852751
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide
SMILESCC1CC(C)CN(CCCCNC(=O)C2CCC(N)C2)C1
InChIInChI=1S/C17H33N3O/c1-13-9-14(2)12-20(11-13)8-4-3-7-19-17(21)15-5-6-16(18)10-15/h13-16H,3-12,18H2,1-2H3,(H,19,21)
InChIKeyZACSJSWXINVIFE-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide 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

3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119852750
3-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide
CID 119858858
1-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-2-methylguanidine
CID 124841464
3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119850859
3-amino-N-hex-5-ynylcyclopentane-1-carboxamide
CID 106212981
3-amino-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclohexane-1-carboxamide
CID 119902026
1-butanoyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]piperidine-4-carboxamide
CID 55980497
3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62993831
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3236692
3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide
CID 66008993
6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid
CID 66010231
3-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119863426

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide (CID 119852751) is 3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide is CC1CC(C)CN(CCCCNC(=O)C2CCC(N)C2)C1.
What is the InChIKey of 3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide?
The InChIKey is ZACSJSWXINVIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-13-9-14(2)12-20(11-13)8-4-3-7-19-17(21)15-5-6-16(18)10-15/h13-16H,3-12,18H2,1-2H3,(H,19,21).
What are the key properties of 3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide?
3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119852751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).