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

C17H33N3O — CID 119852759

IUPAC1-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide
SMILESCC1CC(C)CN(CCCCNC(=O)C2(N)CCCC2)C1
InChIInChI=1S/C17H33N3O/c1-14-11-15(2)13-20(12-14)10-6-5-9-19-16(21)17(18)7-3-4-8-17/h14-15H,3-13,18H2,1-2H3,(H,19,21)
InChIKeyDTCYKRJTABDOAD-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.13
Rot. Bonds6

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

1-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide (PubChem CID 119852759) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide
PubChem CID119852759
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide
SMILESCC1CC(C)CN(CCCCNC(=O)C2(N)CCCC2)C1
InChIInChI=1S/C17H33N3O/c1-14-11-15(2)13-20(12-14)10-6-5-9-19-16(21)17(18)7-3-4-8-17/h14-15H,3-13,18H2,1-2H3,(H,19,21)
InChIKeyDTCYKRJTABDOAD-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide
CID 119858866
1-amino-N-[4-(4-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119852388
1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide
CID 119831267
1-amino-N-(3-piperidin-1-ylpropyl)cyclopentane-1-carboxamide
CID 60867938
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111331881
1-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 61241468
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
CID 70842274
1-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-2-methylguanidine
CID 124841464
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120642892
1-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexane-1-carboxamide
CID 119851085
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618524
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438194

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide (CID 119852759) is 1-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide is CC1CC(C)CN(CCCCNC(=O)C2(N)CCCC2)C1.
What is the InChIKey of 1-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide?
The InChIKey is DTCYKRJTABDOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-14-11-15(2)13-20(12-14)10-6-5-9-19-16(21)17(18)7-3-4-8-17/h14-15H,3-13,18H2,1-2H3,(H,19,21).
What are the key properties of 1-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide?
1-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119852759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).