3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide;dihydrochloride

C20H33Cl2N3O — CID 119883053

IUPAC3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide;dihydrochloride
SMILESCC1CC(N(C)C(=O)C2CCC(N)C2)CCN1Cc1ccccc1.Cl.Cl
InChIInChI=1S/C20H31N3O.2ClH/c1-15-12-19(22(2)20(24)17-8-9-18(21)13-17)10-11-23(15)14-16-6-4-3-5-7-16;;/h3-7,15,17-19H,8-14,21H2,1-2H3;2*1H
InChIKeyOTQXSUQLXGLFDQ-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.47
Rot. Bonds4

About 3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide;dihydrochloride

3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119883053) has the molecular formula C20H33Cl2N3O and a molecular weight of 402.41 g/mol. Its IUPAC name is 3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide;dihydrochloride
PubChem CID119883053
Molecular FormulaC20H33Cl2N3O
Molecular Weight402.41 g/mol
Exact Mass401.20
IUPAC Name3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide;dihydrochloride
SMILESCC1CC(N(C)C(=O)C2CCC(N)C2)CCN1Cc1ccccc1.Cl.Cl
InChIInChI=1S/C20H31N3O.2ClH/c1-15-12-19(22(2)20(24)17-8-9-18(21)13-17)10-11-23(15)14-16-6-4-3-5-7-16;;/h3-7,15,17-19H,8-14,21H2,1-2H3;2*1H
InChIKeyOTQXSUQLXGLFDQ-UHFFFAOYSA-N
XLogP3.47
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylpropanamide;dihydrochloride
CID 119883039
N-[2-[[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 95632729
1-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopropane-1-carboxamide
CID 119883030
(2S)-2-amino-N-[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methylbutanamide
CID 124604392
(2S)-2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N,3,3-trimethylbutanamide
CID 124691163
(2S)-2-amino-N-[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 124693760
3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methyl-2-phenylpropanamide;dihydrochloride
CID 119883047
(3S)-3-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 125120935
(2R,3S)-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylmorpholine-3-carboxamide
CID 120941555
N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 97317575
1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-pyridin-4-ylurea
CID 95632987
3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide
CID 119900588

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide;dihydrochloride (CID 119883053) is 3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide;dihydrochloride is CC1CC(N(C)C(=O)C2CCC(N)C2)CCN1Cc1ccccc1.Cl.Cl.
What is the InChIKey of 3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is OTQXSUQLXGLFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O.2ClH/c1-15-12-19(22(2)20(24)17-8-9-18(21)13-17)10-11-23(15)14-16-6-4-3-5-7-16;;/h3-7,15,17-19H,8-14,21H2,1-2H3;2*1H.
What are the key properties of 3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide;dihydrochloride?
3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 402.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119883053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).