N-(1-benzylpiperidin-4-yl)-N-cyclopropyl-2-(4-methylsulfonylphenyl)acetamide

C24H30N2O3S — CID 3430910

IUPACN-(1-benzylpiperidin-4-yl)-N-cyclopropyl-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)N(C2CC2)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H30N2O3S/c1-30(28,29)23-11-7-19(8-12-23)17-24(27)26(21-9-10-21)22-13-15-25(16-14-22)18-20-5-3-2-4-6-20/h2-8,11-12,21-22H,9-10,13-18H2,1H3
InChIKeyLRTXYBUIYUWOSR-UHFFFAOYSA-N
MW426.58 g/mol
LogP3.29
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-N-cyclopropyl-2-(4-methylsulfonylphenyl)acetamide

N-(1-benzylpiperidin-4-yl)-N-cyclopropyl-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 3430910) has the molecular formula C24H30N2O3S and a molecular weight of 426.58 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N-cyclopropyl-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N-cyclopropyl-2-(4-methylsulfonylphenyl)acetamide
PubChem CID3430910
Molecular FormulaC24H30N2O3S
Molecular Weight426.58 g/mol
Exact Mass426.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-N-cyclopropyl-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)N(C2CC2)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H30N2O3S/c1-30(28,29)23-11-7-19(8-12-23)17-24(27)26(21-9-10-21)22-13-15-25(16-14-22)18-20-5-3-2-4-6-20/h2-8,11-12,21-22H,9-10,13-18H2,1H3
InChIKeyLRTXYBUIYUWOSR-UHFFFAOYSA-N
XLogP3.29
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(1-benzylpiperidin-4-yl)-N-cyclopropyl-2-(4-methylsulfonylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 11682175
CID 11682175
CID 197239
CID 197239
CID 197240
CID 197240
CID 10029132
CID 10029132
CID 9916998
CID 9916998
CID 16073660
CID 16073660
CID 11635721
CID 11635721
CID 16073661
CID 16073661
CID 134158397
CID 134158397
CID 145959374
CID 145959374
CID 484578
CID 484578
CID 44590681
CID 44590681

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N-cyclopropyl-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N-cyclopropyl-2-(4-methylsulfonylphenyl)acetamide (CID 3430910) is N-(1-benzylpiperidin-4-yl)-N-cyclopropyl-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N-cyclopropyl-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N-cyclopropyl-2-(4-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccc(CC(=O)N(C2CC2)C2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N-cyclopropyl-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is LRTXYBUIYUWOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3S/c1-30(28,29)23-11-7-19(8-12-23)17-24(27)26(21-9-10-21)22-13-15-25(16-14-22)18-20-5-3-2-4-6-20/h2-8,11-12,21-22H,9-10,13-18H2,1H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-N-cyclopropyl-2-(4-methylsulfonylphenyl)acetamide?
N-(1-benzylpiperidin-4-yl)-N-cyclopropyl-2-(4-methylsulfonylphenyl)acetamide has a molecular weight of 426.58 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-N-cyclopropyl-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 3430910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).