N-[(4-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide

C23H30N4O3S — CID 133356293

IUPACN-[(4-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCC4)cn3)CC2)cc1
InChIInChI=1S/C23H30N4O3S/c1-18-4-6-19(7-5-18)16-25-23(28)20-10-14-26(15-11-20)22-9-8-21(17-24-22)31(29,30)27-12-2-3-13-27/h4-9,17,20H,2-3,10-16H2,1H3,(H,25,28)
InChIKeyGQTAQUIEMHYBQR-UHFFFAOYSA-N
MW442.59 g/mol
LogP2.71
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide

N-[(4-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 133356293) has the molecular formula C23H30N4O3S and a molecular weight of 442.59 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID133356293
Molecular FormulaC23H30N4O3S
Molecular Weight442.59 g/mol
Exact Mass442.20
IUPAC NameN-[(4-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCC4)cn3)CC2)cc1
InChIInChI=1S/C23H30N4O3S/c1-18-4-6-19(7-5-18)16-25-23(28)20-10-14-26(15-11-20)22-9-8-21(17-24-22)31(29,30)27-12-2-3-13-27/h4-9,17,20H,2-3,10-16H2,1H3,(H,25,28)
InChIKeyGQTAQUIEMHYBQR-UHFFFAOYSA-N
XLogP2.71
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide 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

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55749704
N-[(6-chloro-3-pyridinyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 60532408
1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 108736252
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 55847105
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 28561956
1-(4-chlorophenyl)sulfonyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide
CID 55846332
1-(4-methylphenyl)sulfonyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 16567822
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 38529319
N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 46513159
N-benzyl-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
CID 20968119
1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 1077698
N-[(4-chlorophenyl)methyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39705993

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide (CID 133356293) is N-[(4-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCC4)cn3)CC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is GQTAQUIEMHYBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S/c1-18-4-6-19(7-5-18)16-25-23(28)20-10-14-26(15-11-20)22-9-8-21(17-24-22)31(29,30)27-12-2-3-13-27/h4-9,17,20H,2-3,10-16H2,1H3,(H,25,28).
What are the key properties of N-[(4-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide?
N-[(4-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 442.59 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 133356293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).