1-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide

C20H31N3O3S — CID 4216040

IUPAC1-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCC(C(=O)NC(C)c3ccccc3)CC2)CC1
InChIInChI=1S/C20H31N3O3S/c1-16-8-12-22(13-9-16)27(25,26)23-14-10-19(11-15-23)20(24)21-17(2)18-6-4-3-5-7-18/h3-7,16-17,19H,8-15H2,1-2H3,(H,21,24)
InChIKeyXSWIQGFJJNCSFI-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.55
Rot. Bonds5

About 1-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide

1-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide (PubChem CID 4216040) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide
PubChem CID4216040
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name1-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCC(C(=O)NC(C)c3ccccc3)CC2)CC1
InChIInChI=1S/C20H31N3O3S/c1-16-8-12-22(13-9-16)27(25,26)23-14-10-19(11-15-23)20(24)21-17(2)18-6-4-3-5-7-18/h3-7,16-17,19H,8-15H2,1-2H3,(H,21,24)
InChIKeyXSWIQGFJJNCSFI-UHFFFAOYSA-N
XLogP2.55
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-N-(1-phenylethyl)acetamide
CID 2912233
1-N-benzyl-4-N-cyclopentylpiperidine-1,4-dicarboxamide
CID 3222727
N-(4-fluorobenzyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 5123394
4-(4-benzhydrylpiperazin-1-yl)-N-butyl-4-oxobutanamide;hydrochloride
CID 23724279
4-(azepan-1-yl)-4-oxo-N-(1-phenylethyl)butanamide
CID 23724300
N-[9-(4-Methyl-benzyl)-9-aza-bicyclo[3.3.1]non-3-yl]-acetamide
CID 24746947
2-(S)-Amino-4-benzylamino-1-piperidin-1-yl-butan-1-one
CID 9817010
9-Benzyl-1-butyl-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione;hydrochloride
CID 10159217
N,1-dibenzylpiperidine-4-carboxamide
CID 25249190
Pentanamide, N-(1-(phenylmethyl)-4-piperidinyl)-2-propyl-
CID 778887
N-(1-benzylpiperidin-4-yl)-2,2-dimethylpropanamide
CID 5074234
Piperidine-1,4-dicarboxylic acid 1-benzylamide 4-cyclohexylamide
CID 645918

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide (CID 4216040) is 1-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide is CC1CCN(S(=O)(=O)N2CCC(C(=O)NC(C)c3ccccc3)CC2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide?
The InChIKey is XSWIQGFJJNCSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-16-8-12-22(13-9-16)27(25,26)23-14-10-19(11-15-23)20(24)21-17(2)18-6-4-3-5-7-18/h3-7,16-17,19H,8-15H2,1-2H3,(H,21,24).
What are the key properties of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide?
1-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide has a molecular weight of 393.55 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 4216040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).