(2S,4S)-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide

C21H33N3O — CID 120647087

IUPAC(2S,4S)-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide
SMILESCC1CN(Cc2ccccc2)CC(C)C1NC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C21H33N3O/c1-15-12-24(14-18-7-5-4-6-8-18)13-16(2)20(15)23-21(25)19-9-10-22-17(3)11-19/h4-8,15-17,19-20,22H,9-14H2,1-3H3,(H,23,25)/t15?,16?,17-,19-,20?/m0/s1
InChIKeyYSYIGMVNMSFLKR-WSRRQZKWSA-N
MW343.51 g/mol
LogP2.65
Rot. Bonds4

About (2S,4S)-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide

(2S,4S)-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide (PubChem CID 120647087) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is (2S,4S)-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide
PubChem CID120647087
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Name(2S,4S)-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide
SMILESCC1CN(Cc2ccccc2)CC(C)C1NC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C21H33N3O/c1-15-12-24(14-18-7-5-4-6-8-18)13-16(2)20(15)23-21(25)19-9-10-22-17(3)11-19/h4-8,15-17,19-20,22H,9-14H2,1-3H3,(H,23,25)/t15?,16?,17-,19-,20?/m0/s1
InChIKeyYSYIGMVNMSFLKR-WSRRQZKWSA-N
XLogP2.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-4-carboxamide
CID 120636405
(4S)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 124780262
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3,3,3-trifluoropropanamide
CID 97092747
(2S,4S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]piperidine-4-carboxamide
CID 120637262
(2S,4S)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120633174
(2S,4S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631803
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119942283
(2S,4S)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619392
N-[(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-4,4,4-trifluorobutanamide
CID 97092752
N-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide
CID 129429508

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide (CID 120647087) is (2S,4S)-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide is CC1CN(Cc2ccccc2)CC(C)C1NC(=O)[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of (2S,4S)-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide?
The InChIKey is YSYIGMVNMSFLKR-WSRRQZKWSA-N. The full InChI is InChI=1S/C21H33N3O/c1-15-12-24(14-18-7-5-4-6-8-18)13-16(2)20(15)23-21(25)19-9-10-22-17(3)11-19/h4-8,15-17,19-20,22H,9-14H2,1-3H3,(H,23,25)/t15?,16?,17-,19-,20?/m0/s1.
What are the key properties of (2S,4S)-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide has a molecular weight of 343.51 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120647087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).