(3R)-1-[3-(cyanomethyl)benzoyl]-N-cyclopentylpiperidine-3-sulfonamide

C19H25N3O3S — CID 97348457

IUPAC(3R)-1-[3-(cyanomethyl)benzoyl]-N-cyclopentylpiperidine-3-sulfonamide
SMILESN#CCc1cccc(C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1
InChIInChI=1S/C19H25N3O3S/c20-11-10-15-5-3-6-16(13-15)19(23)22-12-4-9-18(14-22)26(24,25)21-17-7-1-2-8-17/h3,5-6,13,17-18,21H,1-2,4,7-10,12,14H2/t18-/m1/s1
InChIKeyUAUAWMYFDNJSDE-GOSISDBHSA-N
MW375.49 g/mol
LogP2.22
Rot. Bonds5

About (3R)-1-[3-(cyanomethyl)benzoyl]-N-cyclopentylpiperidine-3-sulfonamide

(3R)-1-[3-(cyanomethyl)benzoyl]-N-cyclopentylpiperidine-3-sulfonamide (PubChem CID 97348457) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is (3R)-1-[3-(cyanomethyl)benzoyl]-N-cyclopentylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name(3R)-1-[3-(cyanomethyl)benzoyl]-N-cyclopentylpiperidine-3-sulfonamide
PubChem CID97348457
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name(3R)-1-[3-(cyanomethyl)benzoyl]-N-cyclopentylpiperidine-3-sulfonamide
SMILESN#CCc1cccc(C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1
InChIInChI=1S/C19H25N3O3S/c20-11-10-15-5-3-6-16(13-15)19(23)22-12-4-9-18(14-22)26(24,25)21-17-7-1-2-8-17/h3,5-6,13,17-18,21H,1-2,4,7-10,12,14H2/t18-/m1/s1
InChIKeyUAUAWMYFDNJSDE-GOSISDBHSA-N
XLogP2.22
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[3-(cyanomethyl)benzoyl]-N-cyclopentylpiperidine-3-sulfonamide
CID 97348456
(3R)-1-[2-[4-(cyanomethyl)phenoxy]acetyl]-N-cyclopentylpiperidine-3-sulfonamide
CID 97348821
1-(2-chloropyridine-4-carbonyl)-N-cyclopentylpiperidine-3-sulfonamide
CID 75476198
[3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone
CID 119488374
(3S)-N-(3-carbamoylphenyl)-3-(cyclopentylsulfamoyl)piperidine-1-carboxamide
CID 97348320
(3S)-N-cyclopentyl-1-(pyridine-2-carbonyl)piperidine-3-sulfonamide
CID 97348588
[3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone;hydrochloride
CID 119488373
3-(cyanomethyl)-N-cyclopentylbenzamide
CID 82178994
2-[3-(2-methylpiperidine-1-carbonyl)phenyl]acetonitrile
CID 82179313
2-[3-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]phenyl]acetonitrile
CID 95606726
1-[3-(cyanomethyl)benzoyl]-2-[(sulfamoylamino)methyl]piperidine
CID 126816757
2-[3-[(2S)-2-phenacylpyrrolidine-1-carbonyl]phenyl]acetonitrile
CID 97041772

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(cyanomethyl)benzoyl]-N-cyclopentylpiperidine-3-sulfonamide?
The IUPAC name of (3R)-1-[3-(cyanomethyl)benzoyl]-N-cyclopentylpiperidine-3-sulfonamide (CID 97348457) is (3R)-1-[3-(cyanomethyl)benzoyl]-N-cyclopentylpiperidine-3-sulfonamide.
What is the SMILES notation for (3R)-1-[3-(cyanomethyl)benzoyl]-N-cyclopentylpiperidine-3-sulfonamide?
The canonical SMILES for (3R)-1-[3-(cyanomethyl)benzoyl]-N-cyclopentylpiperidine-3-sulfonamide is N#CCc1cccc(C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1.
What is the InChIKey of (3R)-1-[3-(cyanomethyl)benzoyl]-N-cyclopentylpiperidine-3-sulfonamide?
The InChIKey is UAUAWMYFDNJSDE-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25N3O3S/c20-11-10-15-5-3-6-16(13-15)19(23)22-12-4-9-18(14-22)26(24,25)21-17-7-1-2-8-17/h3,5-6,13,17-18,21H,1-2,4,7-10,12,14H2/t18-/m1/s1.
What are the key properties of (3R)-1-[3-(cyanomethyl)benzoyl]-N-cyclopentylpiperidine-3-sulfonamide?
(3R)-1-[3-(cyanomethyl)benzoyl]-N-cyclopentylpiperidine-3-sulfonamide has a molecular weight of 375.49 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(cyanomethyl)benzoyl]-N-cyclopentylpiperidine-3-sulfonamide is sourced from PubChem (CID 97348457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).