3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide

C22H35N3O — CID 119900588

IUPAC3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide
SMILESCC1CN(Cc2ccccc2)CC(C)C1N(C)C(=O)C1CCCC(N)C1
InChIInChI=1S/C22H35N3O/c1-16-13-25(15-18-8-5-4-6-9-18)14-17(2)21(16)24(3)22(26)19-10-7-11-20(23)12-19/h4-6,8-9,16-17,19-21H,7,10-15,23H2,1-3H3
InChIKeyAQLJYLVVFIRQDC-UHFFFAOYSA-N
MW357.54 g/mol
LogP3.12
Rot. Bonds4

About 3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide

3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide (PubChem CID 119900588) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is 3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide
PubChem CID119900588
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide
SMILESCC1CN(Cc2ccccc2)CC(C)C1N(C)C(=O)C1CCCC(N)C1
InChIInChI=1S/C22H35N3O/c1-16-13-25(15-18-8-5-4-6-9-18)14-17(2)21(16)24(3)22(26)19-10-7-11-20(23)12-19/h4-6,8-9,16-17,19-21H,7,10-15,23H2,1-3H3
InChIKeyAQLJYLVVFIRQDC-UHFFFAOYSA-N
XLogP3.12
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide
CID 119889662
3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide;dihydrochloride
CID 119883053
3-amino-N-(1-benzylpiperidin-3-yl)-N-propylcyclopentane-1-carboxamide
CID 119857600
3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119889661
3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 119831684
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride
CID 119900601
(2R)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-(carbamoylamino)-N-methylpropanamide
CID 97092735
7-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylheptanamide;dihydrochloride
CID 119900575
3-amino-N-methyl-N-(4-phenylbutyl)cyclohexane-1-carboxamide;hydrochloride
CID 119733701
3-amino-N-cyclopentyl-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119696948
cis-(1R,3S)-3-amino-N-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexane-1-carboxamide
CID 122566972
N-(1-benzylpiperidin-3-yl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 127393578

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide (CID 119900588) is 3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide is CC1CN(Cc2ccccc2)CC(C)C1N(C)C(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide?
The InChIKey is AQLJYLVVFIRQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-16-13-25(15-18-8-5-4-6-9-18)14-17(2)21(16)24(3)22(26)19-10-7-11-20(23)12-19/h4-6,8-9,16-17,19-21H,7,10-15,23H2,1-3H3.
What are the key properties of 3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide?
3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide has a molecular weight of 357.54 g/mol, XLogP of 3.12, 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-3,5-dimethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 119900588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).