N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide

C17H25N3O3S — CID 119700344

IUPACN-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)C1CCNC1
InChIInChI=1S/C17H25N3O3S/c21-17(15-8-9-18-12-15)19-13-14-6-2-3-7-16(14)24(22,23)20-10-4-1-5-11-20/h2-3,6-7,15,18H,1,4-5,8-13H2,(H,19,21)
InChIKeyUWCCTDYHTQXHCM-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.09
Rot. Bonds5

About N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide

N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 119700344) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID119700344
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)C1CCNC1
InChIInChI=1S/C17H25N3O3S/c21-17(15-8-9-18-12-15)19-13-14-6-2-3-7-16(14)24(22,23)20-10-4-1-5-11-20/h2-3,6-7,15,18H,1,4-5,8-13H2,(H,19,21)
InChIKeyUWCCTDYHTQXHCM-UHFFFAOYSA-N
XLogP1.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119836564
N-[(3-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 119312856
1-(1,3-benzoxazol-2-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 24611705
N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 63006320
(2R,3S)-2-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120920799
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119895713
N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679710
N-[[2-(benzenesulfonamido)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119745101
N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]morpholine-2-carboxamide
CID 119888627
N-[(2-piperidin-1-ylsulfonylphenyl)methyl]cyclopentanamine
CID 75414784
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005428
3-amino-N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119888604

Frequently Asked Questions

What is the IUPAC name of N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide (CID 119700344) is N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide is O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)C1CCNC1.
What is the InChIKey of N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is UWCCTDYHTQXHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c21-17(15-8-9-18-12-15)19-13-14-6-2-3-7-16(14)24(22,23)20-10-4-1-5-11-20/h2-3,6-7,15,18H,1,4-5,8-13H2,(H,19,21).
What are the key properties of N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide?
N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 351.47 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119700344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).