N-[(4-cyanophenyl)methyl]-1-(2-cyanophenyl)sulfonyl-N-propylpiperidine-4-carboxamide

C24H26N4O3S — CID 55594937

IUPACN-[(4-cyanophenyl)methyl]-1-(2-cyanophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1
InChIInChI=1S/C24H26N4O3S/c1-2-13-27(18-20-9-7-19(16-25)8-10-20)24(29)21-11-14-28(15-12-21)32(30,31)23-6-4-3-5-22(23)17-26/h3-10,21H,2,11-15,18H2,1H3
InChIKeyNBVDBYIKCAELGH-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.27
Rot. Bonds7

About N-[(4-cyanophenyl)methyl]-1-(2-cyanophenyl)sulfonyl-N-propylpiperidine-4-carboxamide

N-[(4-cyanophenyl)methyl]-1-(2-cyanophenyl)sulfonyl-N-propylpiperidine-4-carboxamide (PubChem CID 55594937) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-1-(2-cyanophenyl)sulfonyl-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-1-(2-cyanophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
PubChem CID55594937
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN-[(4-cyanophenyl)methyl]-1-(2-cyanophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1
InChIInChI=1S/C24H26N4O3S/c1-2-13-27(18-20-9-7-19(16-25)8-10-20)24(29)21-11-14-28(15-12-21)32(30,31)23-6-4-3-5-22(23)17-26/h3-10,21H,2,11-15,18H2,1H3
InChIKeyNBVDBYIKCAELGH-UHFFFAOYSA-N
XLogP3.27
TPSA105.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyanophenyl)sulfonyl-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 27861422
N-benzyl-1-(2-fluorophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 26292191
1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide
CID 26292200
1-(4-cyanophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]-N-propylpiperidine-4-carboxamide
CID 86892187
N-benzyl-1-(2-methyl-5-nitrophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 26292172
1-(2-cyanophenyl)sulfonyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 24503398
N-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 60945973
1-(2-cyanophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 55967746
N-benzyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpiperidine-4-carboxamide
CID 43020408
2-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile
CID 8868910
2-(2-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide
CID 55593679
2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile
CID 103834546

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-1-(2-cyanophenyl)sulfonyl-N-propylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-1-(2-cyanophenyl)sulfonyl-N-propylpiperidine-4-carboxamide (CID 55594937) is N-[(4-cyanophenyl)methyl]-1-(2-cyanophenyl)sulfonyl-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-1-(2-cyanophenyl)sulfonyl-N-propylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-1-(2-cyanophenyl)sulfonyl-N-propylpiperidine-4-carboxamide is CCCN(Cc1ccc(C#N)cc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-1-(2-cyanophenyl)sulfonyl-N-propylpiperidine-4-carboxamide?
The InChIKey is NBVDBYIKCAELGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-2-13-27(18-20-9-7-19(16-25)8-10-20)24(29)21-11-14-28(15-12-21)32(30,31)23-6-4-3-5-22(23)17-26/h3-10,21H,2,11-15,18H2,1H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-1-(2-cyanophenyl)sulfonyl-N-propylpiperidine-4-carboxamide?
N-[(4-cyanophenyl)methyl]-1-(2-cyanophenyl)sulfonyl-N-propylpiperidine-4-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-1-(2-cyanophenyl)sulfonyl-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 55594937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).