1-phenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]methanesulfonamide

C19H23N3O3S — CID 121108054

IUPAC1-phenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]methanesulfonamide
SMILESO=C(c1ccncc1)N1CCC(CNS(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H23N3O3S/c23-19(18-6-10-20-11-7-18)22-12-8-16(9-13-22)14-21-26(24,25)15-17-4-2-1-3-5-17/h1-7,10-11,16,21H,8-9,12-15H2
InChIKeyWJCKUDWSWVHQBL-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.05
Rot. Bonds6

About 1-phenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]methanesulfonamide

1-phenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]methanesulfonamide (PubChem CID 121108054) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-phenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]methanesulfonamide
PubChem CID121108054
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name1-phenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]methanesulfonamide
SMILESO=C(c1ccncc1)N1CCC(CNS(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H23N3O3S/c23-19(18-6-10-20-11-7-18)22-12-8-16(9-13-22)14-21-26(24,25)15-17-4-2-1-3-5-17/h1-7,10-11,16,21H,8-9,12-15H2
InChIKeyWJCKUDWSWVHQBL-UHFFFAOYSA-N
XLogP2.05
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-phenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 90521151
[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638786
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-1-phenylmethanesulfonamide
CID 53103748
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 71786761
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
4-tert-butyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 71786382
3,3-diphenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]propanamide
CID 121108656
4-propoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121108109
4-[[(4-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylic acid
CID 174678128
4-[(benzylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525485
2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79615008
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]methanesulfonamide?
The IUPAC name of 1-phenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]methanesulfonamide (CID 121108054) is 1-phenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-phenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]methanesulfonamide is O=C(c1ccncc1)N1CCC(CNS(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-phenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]methanesulfonamide?
The InChIKey is WJCKUDWSWVHQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-19(18-6-10-20-11-7-18)22-12-8-16(9-13-22)14-21-26(24,25)15-17-4-2-1-3-5-17/h1-7,10-11,16,21H,8-9,12-15H2.
What are the key properties of 1-phenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]methanesulfonamide?
1-phenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]methanesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 121108054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).