4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-N-(3-methylphenyl)piperazine-1-carboxamide

C21H32N4O2 — CID 25437306

IUPAC4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)c1
InChIInChI=1S/C21H32N4O2/c1-16-5-4-6-19(12-16)22-21(27)24-9-7-23(8-10-24)15-20(26)25-13-17(2)11-18(3)14-25/h4-6,12,17-18H,7-11,13-15H2,1-3H3,(H,22,27)/t17-,18-/m1/s1
InChIKeyHOOWXYSBRNZBPS-QZTJIDSGSA-N
MW372.51 g/mol
LogP2.65
Rot. Bonds3

About 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-N-(3-methylphenyl)piperazine-1-carboxamide

4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-N-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 25437306) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-N-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-N-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID25437306
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)c1
InChIInChI=1S/C21H32N4O2/c1-16-5-4-6-19(12-16)22-21(27)24-9-7-23(8-10-24)15-20(26)25-13-17(2)11-18(3)14-25/h4-6,12,17-18H,7-11,13-15H2,1-3H3,(H,22,27)/t17-,18-/m1/s1
InChIKeyHOOWXYSBRNZBPS-QZTJIDSGSA-N
XLogP2.65
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide
CID 18093895
N-(3,5-dimethylphenyl)-2-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30736284
2-(3,5-dimethylpiperidin-1-yl)-N-(3-methylphenyl)acetamide
CID 22198013
4-(2-amino-2-hydroxyiminoethyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 77011865
N-(2-chlorophenyl)-4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 51250491
2-[4-[(3-methylphenyl)carbamoyl]piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119183557
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 34905400
(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 79411041
4-[4-[(3-methylphenyl)carbamoyl]piperazin-1-yl]butanoic acid
CID 119958643
(1S,6R)-6-methyl-N-(3-methylphenyl)-1-oxo-1,4-thiazepane-4-carboxamide
CID 100714587
3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61192662
3-[[4-[(3-methylphenyl)carbamoyl]piperazin-1-yl]methyl]benzoic acid
CID 122028905

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-N-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-N-(3-methylphenyl)piperazine-1-carboxamide (CID 25437306) is 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-N-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-N-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-N-(3-methylphenyl)piperazine-1-carboxamide is Cc1cccc(NC(=O)N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)c1.
What is the InChIKey of 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-N-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is HOOWXYSBRNZBPS-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-16-5-4-6-19(12-16)22-21(27)24-9-7-23(8-10-24)15-20(26)25-13-17(2)11-18(3)14-25/h4-6,12,17-18H,7-11,13-15H2,1-3H3,(H,22,27)/t17-,18-/m1/s1.
What are the key properties of 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-N-(3-methylphenyl)piperazine-1-carboxamide?
4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-N-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-N-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 25437306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).