N-[(3-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide

C18H27N3O3S — CID 119312856

IUPACN-[(3-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCCNC1
InChIInChI=1S/C18H27N3O3S/c22-18(16-7-5-9-19-14-16)20-13-15-6-4-8-17(12-15)25(23,24)21-10-2-1-3-11-21/h4,6,8,12,16,19H,1-3,5,7,9-11,13-14H2,(H,20,22)
InChIKeyFKUKDDISYPGTCL-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.48
Rot. Bonds5

About N-[(3-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide

N-[(3-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 119312856) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[(3-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
PubChem CID119312856
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-[(3-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCCNC1
InChIInChI=1S/C18H27N3O3S/c22-18(16-7-5-9-19-14-16)20-13-15-6-4-8-17(12-15)25(23,24)21-10-2-1-3-11-21/h4,6,8,12,16,19H,1-3,5,7,9-11,13-14H2,(H,20,22)
InChIKeyFKUKDDISYPGTCL-UHFFFAOYSA-N
XLogP1.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-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-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
CID 55150240
N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 110471905
N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119847231
cis-(1R,2S)-2-methyl-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]cyclopropane-1-carboxamide
CID 95285827
N-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide
CID 61274140
N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119312829
N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide
CID 119700344
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119282363
N-(piperidin-3-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119463506
N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119876347
N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 119295626
(3S)-1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562114

Frequently Asked Questions

What is the IUPAC name of N-[(3-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[(3-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide (CID 119312856) is N-[(3-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(3-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(3-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide is O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCCNC1.
What is the InChIKey of N-[(3-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is FKUKDDISYPGTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c22-18(16-7-5-9-19-14-16)20-13-15-6-4-8-17(12-15)25(23,24)21-10-2-1-3-11-21/h4,6,8,12,16,19H,1-3,5,7,9-11,13-14H2,(H,20,22).
What are the key properties of N-[(3-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide?
N-[(3-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119312856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).