3-amino-N-(1-ethylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride

C13H27Cl2N3O — CID 119862380

IUPAC3-amino-N-(1-ethylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride
SMILESCCN1CCCC(NC(=O)C2CCC(N)C2)C1.Cl.Cl
InChIInChI=1S/C13H25N3O.2ClH/c1-2-16-7-3-4-12(9-16)15-13(17)10-5-6-11(14)8-10;;/h10-12H,2-9,14H2,1H3,(H,15,17);2*1H
InChIKeyKSEFVJWJKKFRIZ-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.56
Rot. Bonds3

About 3-amino-N-(1-ethylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride

3-amino-N-(1-ethylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119862380) has the molecular formula C13H27Cl2N3O and a molecular weight of 312.29 g/mol. Its IUPAC name is 3-amino-N-(1-ethylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(1-ethylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119862380
Molecular FormulaC13H27Cl2N3O
Molecular Weight312.29 g/mol
Exact Mass311.15
IUPAC Name3-amino-N-(1-ethylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride
SMILESCCN1CCCC(NC(=O)C2CCC(N)C2)C1.Cl.Cl
InChIInChI=1S/C13H25N3O.2ClH/c1-2-16-7-3-4-12(9-16)15-13(17)10-5-6-11(14)8-10;;/h10-12H,2-9,14H2,1H3,(H,15,17);2*1H
InChIKeyKSEFVJWJKKFRIZ-UHFFFAOYSA-N
XLogP1.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-ethylpiperidin-3-yl)-2-methylcyclohexane-1-carboxamide
CID 62781409
3-amino-N-(1-benzylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119855968
3-amino-N-(1-methylpyrrolidin-3-yl)cyclopentane-1-carboxamide
CID 66007963
3-[(1-ethylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66030045
1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589989
1-cyclopropyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589816
N-[1-(cyclopentylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975778
3-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119841081
3-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119841086
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119854746
(2R,4S)-N-[(3S)-1-ethylpiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 124832336
3-amino-N-[(1-ethylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide
CID 66008591

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-ethylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-(1-ethylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride (CID 119862380) is 3-amino-N-(1-ethylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(1-ethylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(1-ethylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride is CCN1CCCC(NC(=O)C2CCC(N)C2)C1.Cl.Cl.
What is the InChIKey of 3-amino-N-(1-ethylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is KSEFVJWJKKFRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.2ClH/c1-2-16-7-3-4-12(9-16)15-13(17)10-5-6-11(14)8-10;;/h10-12H,2-9,14H2,1H3,(H,15,17);2*1H.
What are the key properties of 3-amino-N-(1-ethylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride?
3-amino-N-(1-ethylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 312.29 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-ethylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119862380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).