N-(5-acetamido-2-pyridinyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide

C21H26N4O4S — CID 139002277

IUPACN-(5-acetamido-2-pyridinyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(NC(C)=O)cn2)(c2ccccc2)CC1
InChIInChI=1S/C21H26N4O4S/c1-3-30(28,29)25-13-11-21(12-14-25,17-7-5-4-6-8-17)20(27)24-19-10-9-18(15-22-19)23-16(2)26/h4-10,15H,3,11-14H2,1-2H3,(H,23,26)(H,22,24,27)
InChIKeyZDHPPWIGTVTJJL-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.36
Rot. Bonds6

About N-(5-acetamido-2-pyridinyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide

N-(5-acetamido-2-pyridinyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide (PubChem CID 139002277) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-(5-acetamido-2-pyridinyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-pyridinyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
PubChem CID139002277
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC NameN-(5-acetamido-2-pyridinyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(NC(C)=O)cn2)(c2ccccc2)CC1
InChIInChI=1S/C21H26N4O4S/c1-3-30(28,29)25-13-11-21(12-14-25,17-7-5-4-6-8-17)20(27)24-19-10-9-18(15-22-19)23-16(2)26/h4-10,15H,3,11-14H2,1-2H3,(H,23,26)(H,22,24,27)
InChIKeyZDHPPWIGTVTJJL-UHFFFAOYSA-N
XLogP2.36
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyanophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816005
N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816047
N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78815994
N-(2-ethoxy-4-fluorophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78892545
1-ethylsulfonyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-phenylpiperidine-4-carboxamide
CID 112819680
1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide
CID 78816036
N-(5-acetamido-2-pyridinyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 139002279
1-acetyl-4-phenyl-N-pyridin-2-ylpiperidine-4-carboxamide
CID 75460001
N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 119643803
1-acetyl-N-(6-methoxy-3-pyridinyl)-4-phenylpiperidine-4-carboxamide
CID 39898355
1-ethylsulfonyl-N-(3-phenoxypropyl)-4-phenylpiperidine-4-carboxamide
CID 78819852
ethane;N-(5-methyl-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 91229001

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-pyridinyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The IUPAC name of N-(5-acetamido-2-pyridinyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide (CID 139002277) is N-(5-acetamido-2-pyridinyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-pyridinyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-acetamido-2-pyridinyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(NC(C)=O)cn2)(c2ccccc2)CC1.
What is the InChIKey of N-(5-acetamido-2-pyridinyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The InChIKey is ZDHPPWIGTVTJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-3-30(28,29)25-13-11-21(12-14-25,17-7-5-4-6-8-17)20(27)24-19-10-9-18(15-22-19)23-16(2)26/h4-10,15H,3,11-14H2,1-2H3,(H,23,26)(H,22,24,27).
What are the key properties of N-(5-acetamido-2-pyridinyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
N-(5-acetamido-2-pyridinyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-pyridinyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 139002277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).