(3S)-N,N-dimethyl-3-[[4-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide

C22H28N2O — CID 95851565

IUPAC(3S)-N,N-dimethyl-3-[[4-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCc1ccc(-c2ccc(C[C@@]3(C(=O)N(C)C)CCCNC3)cc2)cc1
InChIInChI=1S/C22H28N2O/c1-17-5-9-19(10-6-17)20-11-7-18(8-12-20)15-22(21(25)24(2)3)13-4-14-23-16-22/h5-12,23H,4,13-16H2,1-3H3/t22-/m0/s1
InChIKeyIHUXAZMOMZBTAK-QFIPXVFZSA-N
MW336.48 g/mol
LogP3.66
Rot. Bonds4

About (3S)-N,N-dimethyl-3-[[4-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide

(3S)-N,N-dimethyl-3-[[4-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 95851565) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-3-[[4-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-3-[[4-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID95851565
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name(3S)-N,N-dimethyl-3-[[4-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCc1ccc(-c2ccc(C[C@@]3(C(=O)N(C)C)CCCNC3)cc2)cc1
InChIInChI=1S/C22H28N2O/c1-17-5-9-19(10-6-17)20-11-7-18(8-12-20)15-22(21(25)24(2)3)13-4-14-23-16-22/h5-12,23H,4,13-16H2,1-3H3/t22-/m0/s1
InChIKeyIHUXAZMOMZBTAK-QFIPXVFZSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-N,N-dimethylpiperidine-3-carboxamide
CID 86184563
(3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 95804070
(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide
CID 95851579
N,N-dimethyl-3-[[3-(4-methylphenyl)sulfonyl-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride
CID 154729802
3-[(4-methylphenyl)methyl]piperidin-3-ol
CID 63588493
N-[(4-methylphenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63132092
ethyl (3S)-3-benzylpiperidine-3-carboxylate
CID 10800527
3-[(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
CID 63132715
2-(4-methylphenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569459
N-[(4-bromophenyl)methyl]-N-methyl-3-propylpiperidine-3-carboxamide
CID 63130856
N-[(4-bromophenyl)methyl]-3-ethyl-N-methylpiperidine-3-carboxamide
CID 63130855
(2,5-dimethylphenyl)-(3-ethylpiperidin-3-yl)methanone
CID 116568719

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-3-[[4-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N,N-dimethyl-3-[[4-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide (CID 95851565) is (3S)-N,N-dimethyl-3-[[4-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N,N-dimethyl-3-[[4-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N,N-dimethyl-3-[[4-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide is Cc1ccc(-c2ccc(C[C@@]3(C(=O)N(C)C)CCCNC3)cc2)cc1.
What is the InChIKey of (3S)-N,N-dimethyl-3-[[4-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is IHUXAZMOMZBTAK-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H28N2O/c1-17-5-9-19(10-6-17)20-11-7-18(8-12-20)15-22(21(25)24(2)3)13-4-14-23-16-22/h5-12,23H,4,13-16H2,1-3H3/t22-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-3-[[4-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide?
(3S)-N,N-dimethyl-3-[[4-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-3-[[4-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95851565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).