N-methyl-1-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide

C18H24N4O3S — CID 30039620

IUPACN-methyl-1-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C18H24N4O3S/c1-20(18(23)16-8-10-21(11-9-16)26(2,24)25)13-15-12-19-22(14-15)17-6-4-3-5-7-17/h3-7,12,14,16H,8-11,13H2,1-2H3
InChIKeyPXKOMTDGMWQBQL-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.50
Rot. Bonds5

About N-methyl-1-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide

N-methyl-1-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 30039620) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-methyl-1-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID30039620
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-methyl-1-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C18H24N4O3S/c1-20(18(23)16-8-10-21(11-9-16)26(2,24)25)13-15-12-19-22(14-15)17-6-4-3-5-7-17/h3-7,12,14,16H,8-11,13H2,1-2H3
InChIKeyPXKOMTDGMWQBQL-UHFFFAOYSA-N
XLogP1.50
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-methyl-1,1-dioxo-N-[(1-phenylpyrazol-4-yl)methyl]thiolane-3-carboxamide
CID 8962417
N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 167961055
(3R)-3-N-methyl-1-N-phenyl-3-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
CID 8962325
methyl (2S)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]piperidine-1-carboxylate
CID 97206029
N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 17027116
N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide
CID 52990156
(1R,5R,6R)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-azabicyclo[3.2.0]heptane-6-carboxamide
CID 139020507
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558627
(3R)-1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 42565397
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
N-methyl-4-(methylsulfonylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950882
N-cyclopropyl-3-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 131928132

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide (CID 30039620) is N-methyl-1-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-methyl-1-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is PXKOMTDGMWQBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-20(18(23)16-8-10-21(11-9-16)26(2,24)25)13-15-12-19-22(14-15)17-6-4-3-5-7-17/h3-7,12,14,16H,8-11,13H2,1-2H3.
What are the key properties of N-methyl-1-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
N-methyl-1-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 30039620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).