N-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride

C17H26ClN3O3S — CID 154895509

IUPACN-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NC1CCN(C(=O)c2ccccc2C2CCNC2)CC1.Cl
InChIInChI=1S/C17H25N3O3S.ClH/c1-24(22,23)19-14-7-10-20(11-8-14)17(21)16-5-3-2-4-15(16)13-6-9-18-12-13;/h2-5,13-14,18-19H,6-12H2,1H3;1H
InChIKeyZMRSHIKXXHYEAD-UHFFFAOYSA-N
MW387.93 g/mol
LogP1.34
Rot. Bonds4

About N-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride

N-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride (PubChem CID 154895509) has the molecular formula C17H26ClN3O3S and a molecular weight of 387.93 g/mol. Its IUPAC name is N-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride
PubChem CID154895509
Molecular FormulaC17H26ClN3O3S
Molecular Weight387.93 g/mol
Exact Mass387.14
IUPAC NameN-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NC1CCN(C(=O)c2ccccc2C2CCNC2)CC1.Cl
InChIInChI=1S/C17H25N3O3S.ClH/c1-24(22,23)19-14-7-10-20(11-8-14)17(21)16-5-3-2-4-15(16)13-6-9-18-12-13;/h2-5,13-14,18-19H,6-12H2,1H3;1H
InChIKeyZMRSHIKXXHYEAD-UHFFFAOYSA-N
XLogP1.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.93
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride 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

(4-methoxy-4-phenylpiperidin-1-yl)-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone
CID 95714009
ethyl 4-[(2-pyrrolidin-3-ylbenzoyl)amino]piperidine-1-carboxylate
CID 56893622
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(2-pyrrolidin-3-ylphenyl)methanone;dihydrochloride
CID 154894827
N-[1-(2-bromo-3-methylbenzoyl)piperidin-4-yl]methanesulfonamide
CID 103853007
(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrrolidin-3-ylphenyl)methanone
CID 56914215
(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)-[2-[(3R)-pyrrolidin-3-yl]phenyl]methanone
CID 95723576
N-[1-[4-(2-hydroxyphenyl)benzoyl]piperidin-4-yl]methanesulfonamide
CID 118767374
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone
CID 95880904
N-[1-(2-bromobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60767390
N-[1-[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
CID 135110737
N-[1-(2-bromo-5-fluorobenzoyl)piperidin-4-yl]methanesulfonamide
CID 60706031
N-[1-(3-bromopyridine-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 107518487

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride (CID 154895509) is N-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride is CS(=O)(=O)NC1CCN(C(=O)c2ccccc2C2CCNC2)CC1.Cl.
What is the InChIKey of N-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride?
The InChIKey is ZMRSHIKXXHYEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S.ClH/c1-24(22,23)19-14-7-10-20(11-8-14)17(21)16-5-3-2-4-15(16)13-6-9-18-12-13;/h2-5,13-14,18-19H,6-12H2,1H3;1H.
What are the key properties of N-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride?
N-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride has a molecular weight of 387.93 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 154895509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).