N-(4-piperidin-1-ylsulfonylphenyl)-1-propanoylpiperidine-3-carboxamide

C20H29N3O4S — CID 55811063

IUPACN-(4-piperidin-1-ylsulfonylphenyl)-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1
InChIInChI=1S/C20H29N3O4S/c1-2-19(24)22-12-6-7-16(15-22)20(25)21-17-8-10-18(11-9-17)28(26,27)23-13-4-3-5-14-23/h8-11,16H,2-7,12-15H2,1H3,(H,21,25)
InChIKeyQHIKJVYQHDYSQG-UHFFFAOYSA-N
MW407.54 g/mol
LogP2.45
Rot. Bonds5

About N-(4-piperidin-1-ylsulfonylphenyl)-1-propanoylpiperidine-3-carboxamide

N-(4-piperidin-1-ylsulfonylphenyl)-1-propanoylpiperidine-3-carboxamide (PubChem CID 55811063) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-(4-piperidin-1-ylsulfonylphenyl)-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylsulfonylphenyl)-1-propanoylpiperidine-3-carboxamide
PubChem CID55811063
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC NameN-(4-piperidin-1-ylsulfonylphenyl)-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1
InChIInChI=1S/C20H29N3O4S/c1-2-19(24)22-12-6-7-16(15-22)20(25)21-17-8-10-18(11-9-17)28(26,27)23-13-4-3-5-14-23/h8-11,16H,2-7,12-15H2,1H3,(H,21,25)
InChIKeyQHIKJVYQHDYSQG-UHFFFAOYSA-N
XLogP2.45
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(methanesulfonamido)phenyl]-1-propanoylpiperidine-3-carboxamide
CID 55975169
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527480
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673047
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100673660
(3R)-3-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-1,3-dicarboxamide
CID 9086541
(3S)-1-(4-methylphenyl)sulfonyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-3-carboxamide
CID 125047577
(3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 93487555
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673677
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43925169

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)-1-propanoylpiperidine-3-carboxamide (CID 55811063) is N-(4-piperidin-1-ylsulfonylphenyl)-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-piperidin-1-ylsulfonylphenyl)-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-piperidin-1-ylsulfonylphenyl)-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCCC(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1.
What is the InChIKey of N-(4-piperidin-1-ylsulfonylphenyl)-1-propanoylpiperidine-3-carboxamide?
The InChIKey is QHIKJVYQHDYSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4S/c1-2-19(24)22-12-6-7-16(15-22)20(25)21-17-8-10-18(11-9-17)28(26,27)23-13-4-3-5-14-23/h8-11,16H,2-7,12-15H2,1H3,(H,21,25).
What are the key properties of N-(4-piperidin-1-ylsulfonylphenyl)-1-propanoylpiperidine-3-carboxamide?
N-(4-piperidin-1-ylsulfonylphenyl)-1-propanoylpiperidine-3-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylsulfonylphenyl)-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 55811063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).