(2S,4S)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C22H36ClN3O — CID 120633174

IUPAC(2S,4S)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCC1CC(C)CN(Cc2ccc(CNC(=O)[C@H]3CCN[C@@H](C)C3)cc2)C1.Cl
InChIInChI=1S/C22H35N3O.ClH/c1-16-10-17(2)14-25(13-16)15-20-6-4-19(5-7-20)12-24-22(26)21-8-9-23-18(3)11-21;/h4-7,16-18,21,23H,8-15H2,1-3H3,(H,24,26);1H/t16?,17?,18-,21-;/m0./s1
InChIKeyWEUYOWKQUHKLDZ-QHSZKLEGSA-N
MW394.00 g/mol
LogP3.59
Rot. Bonds5

About (2S,4S)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120633174) has the molecular formula C22H36ClN3O and a molecular weight of 394.00 g/mol. Its IUPAC name is (2S,4S)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120633174
Molecular FormulaC22H36ClN3O
Molecular Weight394.00 g/mol
Exact Mass393.25
IUPAC Name(2S,4S)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCC1CC(C)CN(Cc2ccc(CNC(=O)[C@H]3CCN[C@@H](C)C3)cc2)C1.Cl
InChIInChI=1S/C22H35N3O.ClH/c1-16-10-17(2)14-25(13-16)15-20-6-4-19(5-7-20)12-24-22(26)21-8-9-23-18(3)11-21;/h4-7,16-18,21,23H,8-15H2,1-3H3,(H,24,26);1H/t16?,17?,18-,21-;/m0./s1
InChIKeyWEUYOWKQUHKLDZ-QHSZKLEGSA-N
XLogP3.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.00
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

(2S,4S)-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120634706
(2S,4S)-N-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120619607
N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106738652
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
cis-(1S,2R)-N-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 99845322
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 47042053
methyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate
CID 106739738
(3S)-1-acetyl-N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 100853149
(2R,3S)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120939080
2-methyl-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 106739170
(2S,4S)-2-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120633399

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120633174) is (2S,4S)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride is CC1CC(C)CN(Cc2ccc(CNC(=O)[C@H]3CCN[C@@H](C)C3)cc2)C1.Cl.
What is the InChIKey of (2S,4S)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is WEUYOWKQUHKLDZ-QHSZKLEGSA-N. The full InChI is InChI=1S/C22H35N3O.ClH/c1-16-10-17(2)14-25(13-16)15-20-6-4-19(5-7-20)12-24-22(26)21-8-9-23-18(3)11-21;/h4-7,16-18,21,23H,8-15H2,1-3H3,(H,24,26);1H/t16?,17?,18-,21-;/m0./s1.
What are the key properties of (2S,4S)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 394.00 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120633174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).