1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride

C13H27Cl2N3O — CID 119866892

IUPAC1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCN1CCC(CNC(=O)C2(N)CCCC2)CC1.Cl.Cl
InChIInChI=1S/C13H25N3O.2ClH/c1-16-8-4-11(5-9-16)10-15-12(17)13(14)6-2-3-7-13;;/h11H,2-10,14H2,1H3,(H,15,17);2*1H
InChIKeyRFDCBUIWJRLDKN-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.56
Rot. Bonds3

About 1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride

1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119866892) has the molecular formula C13H27Cl2N3O and a molecular weight of 312.29 g/mol. Its IUPAC name is 1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119866892
Molecular FormulaC13H27Cl2N3O
Molecular Weight312.29 g/mol
Exact Mass311.15
IUPAC Name1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCN1CCC(CNC(=O)C2(N)CCCC2)CC1.Cl.Cl
InChIInChI=1S/C13H25N3O.2ClH/c1-16-8-4-11(5-9-16)10-15-12(17)13(14)6-2-3-7-13;;/h11H,2-10,14H2,1H3,(H,15,17);2*1H
InChIKeyRFDCBUIWJRLDKN-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

1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 65465788
1-amino-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide
CID 95228987
1-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119865912
1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 65465734
1-amino-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1-carboxamide
CID 54880967
1-(aminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119854626
1-(hydroxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 115182298
1-[(1-methylpiperidin-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 55035174
1-amino-N-(cyclopentylmethyl)cyclopropane-1-carboxamide
CID 65463779
1-(N'-hydroxycarbamimidoyl)-N-[(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxamide
CID 80597258
1-amino-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
CID 63706981
1-cyano-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 80592650

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119866892) is 1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride is CN1CCC(CNC(=O)C2(N)CCCC2)CC1.Cl.Cl.
What is the InChIKey of 1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is RFDCBUIWJRLDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.2ClH/c1-16-8-4-11(5-9-16)10-15-12(17)13(14)6-2-3-7-13;;/h11H,2-10,14H2,1H3,(H,15,17);2*1H.
What are the key properties of 1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride?
1-amino-N-[(1-methylpiperidin-4-yl)methyl]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 1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119866892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).