4-(2-methylpiperidin-1-yl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide

C24H31N3O3S — CID 55657177

IUPAC4-(2-methylpiperidin-1-yl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C24H31N3O3S/c1-19-6-2-3-17-27(19)31(29,30)23-13-9-21(10-14-23)24(28)25-18-20-7-11-22(12-8-20)26-15-4-5-16-26/h7-14,19H,2-6,15-18H2,1H3,(H,25,28)
InChIKeyOONDQOAOEBUCQL-UHFFFAOYSA-N
MW441.60 g/mol
LogP3.78
Rot. Bonds6

About 4-(2-methylpiperidin-1-yl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide

4-(2-methylpiperidin-1-yl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide (PubChem CID 55657177) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is 4-(2-methylpiperidin-1-yl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(2-methylpiperidin-1-yl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
PubChem CID55657177
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC Name4-(2-methylpiperidin-1-yl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C24H31N3O3S/c1-19-6-2-3-17-27(19)31(29,30)23-13-9-21(10-14-23)24(28)25-18-20-7-11-22(12-8-20)26-15-4-5-16-26/h7-14,19H,2-6,15-18H2,1H3,(H,25,28)
InChIKeyOONDQOAOEBUCQL-UHFFFAOYSA-N
XLogP3.78
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
CID 40881781
4-(2-methylpiperidin-1-yl)sulfonyl-N-[(4-nitrophenyl)methyl]benzamide
CID 60535859
N-[(4-pyrrolidin-1-ylphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 35620277
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55395914
N-(3-aminopropyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119408692
N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridine-4-carboxamide
CID 110291796
N-benzyl-1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carboxamide
CID 46613222
N-[2-(methylamino)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 120832996
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46628535
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55726057
N-[3-(2-methoxyethoxy)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55408143
4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35613985

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide?
The IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide (CID 55657177) is 4-(2-methylpiperidin-1-yl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-(2-methylpiperidin-1-yl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-(2-methylpiperidin-1-yl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide is CC1CCCCN1S(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of 4-(2-methylpiperidin-1-yl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide?
The InChIKey is OONDQOAOEBUCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-19-6-2-3-17-27(19)31(29,30)23-13-9-21(10-14-23)24(28)25-18-20-7-11-22(12-8-20)26-15-4-5-16-26/h7-14,19H,2-6,15-18H2,1H3,(H,25,28).
What are the key properties of 4-(2-methylpiperidin-1-yl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide?
4-(2-methylpiperidin-1-yl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide has a molecular weight of 441.60 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidin-1-yl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 55657177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).