N-(2-methylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine-1-carboxamide

C20H31N3O — CID 92901094

IUPACN-(2-methylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCC(CN2CCC[C@H](C)C2)CC1
InChIInChI=1S/C20H31N3O/c1-16-6-5-11-22(14-16)15-18-9-12-23(13-10-18)20(24)21-19-8-4-3-7-17(19)2/h3-4,7-8,16,18H,5-6,9-15H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyWPUKTLCWXRWYLT-INIZCTEOSA-N
MW329.49 g/mol
LogP3.97
Rot. Bonds3

About N-(2-methylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine-1-carboxamide

N-(2-methylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine-1-carboxamide (PubChem CID 92901094) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine-1-carboxamide
PubChem CID92901094
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-(2-methylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCC(CN2CCC[C@H](C)C2)CC1
InChIInChI=1S/C20H31N3O/c1-16-6-5-11-22(14-16)15-18-9-12-23(13-10-18)20(24)21-19-8-4-3-7-17(19)2/h3-4,7-8,16,18H,5-6,9-15H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyWPUKTLCWXRWYLT-INIZCTEOSA-N
XLogP3.97
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 46366138
N-(4-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 50845478
N-(4-ethylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 50845437
N-(2,5-dimethylphenyl)-4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide
CID 92731340
4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide
CID 92731331
4-(azepan-1-ylmethyl)-N-(3-chloro-2-methylphenyl)piperidine-1-carboxamide
CID 20907587
N-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide
CID 126459311
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
(3R)-3-(methylamino)-N-(2-methylphenyl)piperidine-1-carboxamide;hydrochloride
CID 172646427
4-(azepan-1-ylmethyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-1-carboxamide
CID 47041657
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
4-[2-[(2-cyclopentylacetyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 91913260

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-(2-methylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine-1-carboxamide (CID 92901094) is N-(2-methylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine-1-carboxamide is Cc1ccccc1NC(=O)N1CCC(CN2CCC[C@H](C)C2)CC1.
What is the InChIKey of N-(2-methylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine-1-carboxamide?
The InChIKey is WPUKTLCWXRWYLT-INIZCTEOSA-N. The full InChI is InChI=1S/C20H31N3O/c1-16-6-5-11-22(14-16)15-18-9-12-23(13-10-18)20(24)21-19-8-4-3-7-17(19)2/h3-4,7-8,16,18H,5-6,9-15H2,1-2H3,(H,21,24)/t16-/m0/s1.
What are the key properties of N-(2-methylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine-1-carboxamide?
N-(2-methylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine-1-carboxamide has a molecular weight of 329.49 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 92901094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).