(3R)-3-N-(3-pyrrolidin-1-ylsulfonylphenyl)piperidine-1,3-dicarboxamide

C17H24N4O4S — CID 9073712

IUPAC(3R)-3-N-(3-pyrrolidin-1-ylsulfonylphenyl)piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCC[C@@H](C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1
InChIInChI=1S/C17H24N4O4S/c18-17(23)20-8-4-5-13(12-20)16(22)19-14-6-3-7-15(11-14)26(24,25)21-9-1-2-10-21/h3,6-7,11,13H,1-2,4-5,8-10,12H2,(H2,18,23)(H,19,22)/t13-/m1/s1
InChIKeyDINWFIYPNJOSEC-CYBMUJFWSA-N
MW380.47 g/mol
LogP1.20
Rot. Bonds4

About (3R)-3-N-(3-pyrrolidin-1-ylsulfonylphenyl)piperidine-1,3-dicarboxamide

(3R)-3-N-(3-pyrrolidin-1-ylsulfonylphenyl)piperidine-1,3-dicarboxamide (PubChem CID 9073712) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is (3R)-3-N-(3-pyrrolidin-1-ylsulfonylphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-(3-pyrrolidin-1-ylsulfonylphenyl)piperidine-1,3-dicarboxamide
PubChem CID9073712
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name(3R)-3-N-(3-pyrrolidin-1-ylsulfonylphenyl)piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCC[C@@H](C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1
InChIInChI=1S/C17H24N4O4S/c18-17(23)20-8-4-5-13(12-20)16(22)19-14-6-3-7-15(11-14)26(24,25)21-9-1-2-10-21/h3,6-7,11,13H,1-2,4-5,8-10,12H2,(H2,18,23)(H,19,22)/t13-/m1/s1
InChIKeyDINWFIYPNJOSEC-CYBMUJFWSA-N
XLogP1.20
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 31297742
4-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672164
N-[3-(azepan-1-ylsulfonyl)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 55374582
(3R)-3-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-1,3-dicarboxamide
CID 9086541
(3R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37025382
(3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 9208005
(3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 38764457
(3R)-3-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide
CID 9086298
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
ethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 42948173
(3S)-1-[3-(azepan-1-ylsulfonyl)benzoyl]piperidine-3-carboxamide
CID 9395607
N-(3-benzamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 55796655

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-(3-pyrrolidin-1-ylsulfonylphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-(3-pyrrolidin-1-ylsulfonylphenyl)piperidine-1,3-dicarboxamide (CID 9073712) is (3R)-3-N-(3-pyrrolidin-1-ylsulfonylphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-(3-pyrrolidin-1-ylsulfonylphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-(3-pyrrolidin-1-ylsulfonylphenyl)piperidine-1,3-dicarboxamide is NC(=O)N1CCC[C@@H](C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1.
What is the InChIKey of (3R)-3-N-(3-pyrrolidin-1-ylsulfonylphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is DINWFIYPNJOSEC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N4O4S/c18-17(23)20-8-4-5-13(12-20)16(22)19-14-6-3-7-15(11-14)26(24,25)21-9-1-2-10-21/h3,6-7,11,13H,1-2,4-5,8-10,12H2,(H2,18,23)(H,19,22)/t13-/m1/s1.
What are the key properties of (3R)-3-N-(3-pyrrolidin-1-ylsulfonylphenyl)piperidine-1,3-dicarboxamide?
(3R)-3-N-(3-pyrrolidin-1-ylsulfonylphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 380.47 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-(3-pyrrolidin-1-ylsulfonylphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 9073712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).