(3R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide

C14H24N4O3S — CID 40625253

IUPAC(3R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCCn1ncc(CNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1C
InChIInChI=1S/C14H24N4O3S/c1-4-18-11(2)13(9-16-18)8-15-14(19)12-6-5-7-17(10-12)22(3,20)21/h9,12H,4-8,10H2,1-3H3,(H,15,19)/t12-/m1/s1
InChIKeyPGJLLOGXMHFJCZ-GFCCVEGCSA-N
MW328.44 g/mol
LogP0.50
Rot. Bonds5

About (3R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide

(3R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 40625253) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is (3R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID40625253
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name(3R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCCn1ncc(CNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1C
InChIInChI=1S/C14H24N4O3S/c1-4-18-11(2)13(9-16-18)8-15-14(19)12-6-5-7-17(10-12)22(3,20)21/h9,12H,4-8,10H2,1-3H3,(H,15,19)/t12-/m1/s1
InChIKeyPGJLLOGXMHFJCZ-GFCCVEGCSA-N
XLogP0.50
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclohexylmethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24817829
N-[3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propyl]-1-(methylsulfonyl)piperidine-4-carboxamide
CID 17022877
N-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-1-(methylsulfonyl)-4-piperidinecarboxamide
CID 19584299
N-[3-(5-methylpyrazolyl)propyl][1-(methylsulfonyl)(4-piperidyl)]carboxamide
CID 19584324
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 47030010
1,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)pyrazole-4-carboxamide
CID 45808902
(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 51388671
[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51388772
(3S)-N-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 51388821
(3S)-1-ethylsulfonyl-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 164631667
(3S)-N-(cyclopropylmethyl)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-fluoropiperidine-3-carboxamide
CID 164635298
N-(1-methylsulfonylpiperidin-3-yl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56313887

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide (CID 40625253) is (3R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide is CCn1ncc(CNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1C.
What is the InChIKey of (3R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is PGJLLOGXMHFJCZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-4-18-11(2)13(9-16-18)8-15-14(19)12-6-5-7-17(10-12)22(3,20)21/h9,12H,4-8,10H2,1-3H3,(H,15,19)/t12-/m1/s1.
What are the key properties of (3R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
(3R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 40625253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).