1-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide

C20H32ClN3O — CID 3920070

IUPAC1-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H32ClN3O/c1-20(2,15-23(3)4)14-22-19(25)17-9-11-24(12-10-17)13-16-5-7-18(21)8-6-16/h5-8,17H,9-15H2,1-4H3,(H,22,25)
InChIKeyRSOPNJUFPUXTGX-UHFFFAOYSA-N
MW365.95 g/mol
LogP3.26
Rot. Bonds7

About 1-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide

1-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide (PubChem CID 3920070) has the molecular formula C20H32ClN3O and a molecular weight of 365.95 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
PubChem CID3920070
Molecular FormulaC20H32ClN3O
Molecular Weight365.95 g/mol
Exact Mass365.22
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H32ClN3O/c1-20(2,15-23(3)4)14-22-19(25)17-9-11-24(12-10-17)13-16-5-7-18(21)8-6-16/h5-8,17H,9-15H2,1-4H3,(H,22,25)
InChIKeyRSOPNJUFPUXTGX-UHFFFAOYSA-N
XLogP3.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.95
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide;oxalic acid
CID 163328469
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 46949905
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 51362752
1-benzyl-N-(2,2-dimethylpropyl)piperidine-4-carboxamide
CID 141383860
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid
CID 23724208
(3R)-1-[(4-chlorophenyl)methyl]-N-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 100777778
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 18121105
3-[(1-benzylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 119250204
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 3230697
N-[2-(dimethylamino)ethyl]-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 110009397
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920957
1-[(4-chlorophenyl)methyl]-N-(2-cyclohexylsulfanylethyl)piperidine-4-carboxamide
CID 45015794

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide (CID 3920070) is 1-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide is CN(C)CC(C)(C)CNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
The InChIKey is RSOPNJUFPUXTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32ClN3O/c1-20(2,15-23(3)4)14-22-19(25)17-9-11-24(12-10-17)13-16-5-7-18(21)8-6-16/h5-8,17H,9-15H2,1-4H3,(H,22,25).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide has a molecular weight of 365.95 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide is sourced from PubChem (CID 3920070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).