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

C17H35Cl2N3O — CID 119852750

IUPAC3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCC1CC(C)CN(CCCCNC(=O)C2CCC(N)C2)C1.Cl.Cl
InChIInChI=1S/C17H33N3O.2ClH/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);2*1H
InChIKeyLSRALBMWGHOYSE-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.83
Rot. Bonds6

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

3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119852750) has the molecular formula C17H35Cl2N3O and a molecular weight of 368.39 g/mol. Its IUPAC name is 3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119852750
Molecular FormulaC17H35Cl2N3O
Molecular Weight368.39 g/mol
Exact Mass367.22
IUPAC Name3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCC1CC(C)CN(CCCCNC(=O)C2CCC(N)C2)C1.Cl.Cl
InChIInChI=1S/C17H33N3O.2ClH/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);2*1H
InChIKeyLSRALBMWGHOYSE-UHFFFAOYSA-N
XLogP2.83
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.83
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

3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide
CID 119852751
3-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide
CID 119858858
3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119850859
1-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-2-methylguanidine
CID 124841464
3-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119863426
3-amino-N-hex-5-ynylcyclopentane-1-carboxamide
CID 106212981
3-amino-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclohexane-1-carboxamide
CID 119902026
(2S,5R)-5-(aminomethyl)-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]oxolane-2-carboxamide;dihydrochloride
CID 120798325
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119852750) is 3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride is CC1CC(C)CN(CCCCNC(=O)C2CCC(N)C2)C1.Cl.Cl.
What is the InChIKey of 3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is LSRALBMWGHOYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O.2ClH/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);2*1H.
What are the key properties of 3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride?
3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 368.39 g/mol, XLogP of 2.83, 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;dihydrochloride is sourced from PubChem (CID 119852750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).