1-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide

C14H24N4O3S — CID 19282390

IUPAC1-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H24N4O3S/c1-10-13(11(2)17(3)16-10)9-15-14(19)12-5-7-18(8-6-12)22(4,20)21/h12H,5-9H2,1-4H3,(H,15,19)
InChIKeyUKUSBJOWWIOCHE-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.32
Rot. Bonds4

About 1-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide

1-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 19282390) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID19282390
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name1-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H24N4O3S/c1-10-13(11(2)17(3)16-10)9-15-14(19)12-5-7-18(8-6-12)22(4,20)21/h12H,5-9H2,1-4H3,(H,15,19)
InChIKeyUKUSBJOWWIOCHE-UHFFFAOYSA-N
XLogP0.32
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1-isobutyl-3-oxo-2-piperazinyl)acetamide
CID 16190571
2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 16273067
N-cyclohexyl-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 3236901
N-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 5307483
N-[2-(cyclohexen-1-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 5308059
N-[3-(4,5-dichloro-3-methyl-1H-pyrazol-1-yl)propyl]-1-(methylsulfonyl)piperidine-4-carboxamide
CID 17022725
1-(methylsulfonyl)-N-{3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}piperidine-4-carboxamide
CID 17022949
N-[[1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 45817000
N-[1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperidin-3-yl]methanesulfonamide
CID 45885370
N-[[1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 45885391
N-(1-ethylsulfonylpiperidin-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47021107
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 47030010

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide (CID 19282390) is 1-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide is Cc1nn(C)c(C)c1CNC(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is UKUSBJOWWIOCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-10-13(11(2)17(3)16-10)9-15-14(19)12-5-7-18(8-6-12)22(4,20)21/h12H,5-9H2,1-4H3,(H,15,19).
What are the key properties of 1-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
1-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 19282390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).