2-methylsulfonyl-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]acetamide

C16H24N2O3S — CID 95230194

IUPAC2-methylsulfonyl-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]acetamide
SMILESCS(=O)(=O)CC(=O)NCCN1CCC[C@H](c2ccccc2)C1
InChIInChI=1S/C16H24N2O3S/c1-22(20,21)13-16(19)17-9-11-18-10-5-8-15(12-18)14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,17,19)/t15-/m0/s1
InChIKeyVAAYOVVLQXPPHD-HNNXBMFYSA-N
MW324.45 g/mol
LogP1.03
Rot. Bonds6

About 2-methylsulfonyl-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]acetamide

2-methylsulfonyl-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]acetamide (PubChem CID 95230194) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]acetamide
PubChem CID95230194
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name2-methylsulfonyl-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]acetamide
SMILESCS(=O)(=O)CC(=O)NCCN1CCC[C@H](c2ccccc2)C1
InChIInChI=1S/C16H24N2O3S/c1-22(20,21)13-16(19)17-9-11-18-10-5-8-15(12-18)14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,17,19)/t15-/m0/s1
InChIKeyVAAYOVVLQXPPHD-HNNXBMFYSA-N
XLogP1.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 77086601
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]acetamide
CID 91834161
2,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine-4-carboxamide
CID 77085424
4-(2-hydroxyethyl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]piperazine-1-carboxamide
CID 121495919
2-cyclopropyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 131915442
N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1H-imidazole-2-carboxamide
CID 95193540
3-phenyl-1-propylpiperidine
CID 12937946
4-(3-phenylpiperidin-1-yl)butanoic acid
CID 156599277
N-[2-(3-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 72921846
4-ethyl-2-methyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 99946457
1,4-dimethyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]indole-2-carboxamide
CID 99945532
1,4-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]indole-2-carboxamide
CID 77092346

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]acetamide?
The IUPAC name of 2-methylsulfonyl-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]acetamide (CID 95230194) is 2-methylsulfonyl-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-methylsulfonyl-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-methylsulfonyl-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]acetamide is CS(=O)(=O)CC(=O)NCCN1CCC[C@H](c2ccccc2)C1.
What is the InChIKey of 2-methylsulfonyl-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]acetamide?
The InChIKey is VAAYOVVLQXPPHD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-22(20,21)13-16(19)17-9-11-18-10-5-8-15(12-18)14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,17,19)/t15-/m0/s1.
What are the key properties of 2-methylsulfonyl-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]acetamide?
2-methylsulfonyl-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]acetamide has a molecular weight of 324.45 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 95230194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).