N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide

C20H30N4O4S — CID 16613527

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)CC1
InChIInChI=1S/C20H30N4O4S/c1-29(27,28)24-13-7-16(8-14-24)20(26)22-18-9-11-23(12-10-18)15-19(25)21-17-5-3-2-4-6-17/h2-6,16,18H,7-15H2,1H3,(H,21,25)(H,22,26)
InChIKeyBZUGYASZGYRPHK-UHFFFAOYSA-N
MW422.55 g/mol
LogP0.88
Rot. Bonds6

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 16613527) has the molecular formula C20H30N4O4S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID16613527
Molecular FormulaC20H30N4O4S
Molecular Weight422.55 g/mol
Exact Mass422.20
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)CC1
InChIInChI=1S/C20H30N4O4S/c1-29(27,28)24-13-7-16(8-14-24)20(26)22-18-9-11-23(12-10-18)15-19(25)21-17-5-3-2-4-6-17/h2-6,16,18H,7-15H2,1H3,(H,21,25)(H,22,26)
InChIKeyBZUGYASZGYRPHK-UHFFFAOYSA-N
XLogP0.88
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 16589868
(3R)-3-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 32829511
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
1-[2-(cyclohexylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134327
1-[2-(methylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 78817800
N-[1-[2-(4-fluoroanilino)-2-oxoethyl]piperidin-4-yl]cyclobutanecarboxamide
CID 165434114
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134233
N-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909883
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide
CID 120564436
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride
CID 119840316

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide (CID 16613527) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)CC1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is BZUGYASZGYRPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4S/c1-29(27,28)24-13-7-16(8-14-24)20(26)22-18-9-11-23(12-10-18)15-19(25)21-17-5-3-2-4-6-17/h2-6,16,18H,7-15H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 16613527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).