N-(2,5-dimethylphenyl)-4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide

C22H35N3O — CID 92731340

IUPACN-(2,5-dimethylphenyl)-4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCC(CN3C[C@@H](C)C[C@H](C)C3)CC2)c1
InChIInChI=1S/C22H35N3O/c1-16-5-6-19(4)21(12-16)23-22(26)25-9-7-20(8-10-25)15-24-13-17(2)11-18(3)14-24/h5-6,12,17-18,20H,7-11,13-15H2,1-4H3,(H,23,26)/t17-,18-/m0/s1
InChIKeyZQQUTVRSOCIZIK-ROUUACIJSA-N
MW357.54 g/mol
LogP4.53
Rot. Bonds3

About N-(2,5-dimethylphenyl)-4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide

N-(2,5-dimethylphenyl)-4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide (PubChem CID 92731340) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide
PubChem CID92731340
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC NameN-(2,5-dimethylphenyl)-4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCC(CN3C[C@@H](C)C[C@H](C)C3)CC2)c1
InChIInChI=1S/C22H35N3O/c1-16-5-6-19(4)21(12-16)23-22(26)25-9-7-20(8-10-25)15-24-13-17(2)11-18(3)14-24/h5-6,12,17-18,20H,7-11,13-15H2,1-4H3,(H,23,26)/t17-,18-/m0/s1
InChIKeyZQQUTVRSOCIZIK-ROUUACIJSA-N
XLogP4.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 92731351
4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide
CID 92731331
4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 92731401
4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 46366168
N-(2-methylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine-1-carboxamide
CID 92901094
N-(2-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 46366138
(3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide
CID 27806673
N-(2,5-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84528566
N-(4-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 50845478
(4aS,8aR)-N-(2,5-dimethylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51943981
4-(azepan-1-ylmethyl)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]piperidine-1-carboxamide
CID 47041694
4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 92731410

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide (CID 92731340) is N-(2,5-dimethylphenyl)-4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide is Cc1ccc(C)c(NC(=O)N2CCC(CN3C[C@@H](C)C[C@H](C)C3)CC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide?
The InChIKey is ZQQUTVRSOCIZIK-ROUUACIJSA-N. The full InChI is InChI=1S/C22H35N3O/c1-16-5-6-19(4)21(12-16)23-22(26)25-9-7-20(8-10-25)15-24-13-17(2)11-18(3)14-24/h5-6,12,17-18,20H,7-11,13-15H2,1-4H3,(H,23,26)/t17-,18-/m0/s1.
What are the key properties of N-(2,5-dimethylphenyl)-4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide?
N-(2,5-dimethylphenyl)-4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide has a molecular weight of 357.54 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 92731340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).