1-methylsulfonyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide

C15H24N4O4S — CID 90597726

IUPAC1-methylsulfonyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2cnn(C3CCOCC3)c2)CC1
InChIInChI=1S/C15H24N4O4S/c1-24(21,22)18-6-2-12(3-7-18)15(20)17-13-10-16-19(11-13)14-4-8-23-9-5-14/h10-12,14H,2-9H2,1H3,(H,17,20)
InChIKeyFKBRKHAUGLDNKR-UHFFFAOYSA-N
MW356.45 g/mol
LogP0.84
Rot. Bonds4

About 1-methylsulfonyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide

1-methylsulfonyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide (PubChem CID 90597726) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide
PubChem CID90597726
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC Name1-methylsulfonyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2cnn(C3CCOCC3)c2)CC1
InChIInChI=1S/C15H24N4O4S/c1-24(21,22)18-6-2-12(3-7-18)15(20)17-13-10-16-19(11-13)14-4-8-23-9-5-14/h10-12,14H,2-9H2,1H3,(H,17,20)
InChIKeyFKBRKHAUGLDNKR-UHFFFAOYSA-N
XLogP0.84
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(oxan-4-yl)pyrazol-4-yl]cyclopentanecarboxamide
CID 71810169
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide
CID 97428015
N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide
CID 71810120
N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide
CID 71810286
1-cyclopentyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597838
1-(4-chlorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597812
2,2,2-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide
CID 90597743
1-(2-methoxyethyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 71810282
(E)-4-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-4-oxobut-2-enoic acid
CID 122172610
N-[2-(dimethylamino)pyrimidin-5-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122297890
1-benzyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597826
1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea
CID 72719638

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide (CID 90597726) is 1-methylsulfonyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)Nc2cnn(C3CCOCC3)c2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide?
The InChIKey is FKBRKHAUGLDNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4S/c1-24(21,22)18-6-2-12(3-7-18)15(20)17-13-10-16-19(11-13)14-4-8-23-9-5-14/h10-12,14H,2-9H2,1H3,(H,17,20).
What are the key properties of 1-methylsulfonyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide?
1-methylsulfonyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 90597726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).