1-[(3R)-1-benzoylpiperidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide

C18H24N4O3S — CID 125422114

IUPAC1-[(3R)-1-benzoylpiperidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
SMILESCn1cc(CNS(=O)(=O)C[C@@H]2CCCN(C(=O)c3ccccc3)C2)cn1
InChIInChI=1S/C18H24N4O3S/c1-21-12-16(10-19-21)11-20-26(24,25)14-15-6-5-9-22(13-15)18(23)17-7-3-2-4-8-17/h2-4,7-8,10,12,15,20H,5-6,9,11,13-14H2,1H3/t15-/m1/s1
InChIKeySVUWOSWNMPBHSR-OAHLLOKOSA-N
MW376.48 g/mol
LogP1.39
Rot. Bonds6

About 1-[(3R)-1-benzoylpiperidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide

1-[(3R)-1-benzoylpiperidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide (PubChem CID 125422114) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-[(3R)-1-benzoylpiperidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-[(3R)-1-benzoylpiperidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
PubChem CID125422114
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name1-[(3R)-1-benzoylpiperidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
SMILESCn1cc(CNS(=O)(=O)C[C@@H]2CCCN(C(=O)c3ccccc3)C2)cn1
InChIInChI=1S/C18H24N4O3S/c1-21-12-16(10-19-21)11-20-26(24,25)14-15-6-5-9-22(13-15)18(23)17-7-3-2-4-8-17/h2-4,7-8,10,12,15,20H,5-6,9,11,13-14H2,1H3/t15-/m1/s1
InChIKeySVUWOSWNMPBHSR-OAHLLOKOSA-N
XLogP1.39
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(1R,2R)-2-methylcyclopropanecarbonyl]azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 125423661
(1-methylpyrazol-4-yl)-[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone
CID 129009244
[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-phenylmethanone
CID 122155789
N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(oxane-4-carbonyl)morpholin-2-yl]methanesulfonamide
CID 126822098
[3-(benzenesulfonylmethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110661896
1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 56787526
4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635
(4-ethylazepan-1-yl)-phenylmethanone
CID 23381477
3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106018210
N-[[(3R)-1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 51954491
N-methyl-1-[1-(4-oxo-3H-phthalazine-1-carbonyl)piperidin-3-yl]methanesulfonamide
CID 166247377
[3-[(6-aminopyridazin-3-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110271658

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-benzoylpiperidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1-[(3R)-1-benzoylpiperidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide (CID 125422114) is 1-[(3R)-1-benzoylpiperidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-[(3R)-1-benzoylpiperidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-[(3R)-1-benzoylpiperidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide is Cn1cc(CNS(=O)(=O)C[C@@H]2CCCN(C(=O)c3ccccc3)C2)cn1.
What is the InChIKey of 1-[(3R)-1-benzoylpiperidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide?
The InChIKey is SVUWOSWNMPBHSR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-21-12-16(10-19-21)11-20-26(24,25)14-15-6-5-9-22(13-15)18(23)17-7-3-2-4-8-17/h2-4,7-8,10,12,15,20H,5-6,9,11,13-14H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(3R)-1-benzoylpiperidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide?
1-[(3R)-1-benzoylpiperidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-benzoylpiperidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 125422114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).