1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide

C19H29N3O4S — CID 55788014

IUPAC1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(NC(=O)CC)cc2)CC1
InChIInChI=1S/C19H29N3O4S/c1-3-5-14-27(25,26)22-12-10-15(11-13-22)19(24)21-17-8-6-16(7-9-17)20-18(23)4-2/h6-9,15H,3-5,10-14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyFIAVDZYDBUGSMS-UHFFFAOYSA-N
MW395.53 g/mol
LogP2.82
Rot. Bonds8

About 1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide

1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide (PubChem CID 55788014) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is 1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
PubChem CID55788014
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(NC(=O)CC)cc2)CC1
InChIInChI=1S/C19H29N3O4S/c1-3-5-14-27(25,26)22-12-10-15(11-13-22)19(24)21-17-8-6-16(7-9-17)20-18(23)4-2/h6-9,15H,3-5,10-14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyFIAVDZYDBUGSMS-UHFFFAOYSA-N
XLogP2.82
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide
CID 113007849
[2-(4-methylanilino)-2-oxoethyl] 1-butylsulfonylpiperidine-4-carboxylate
CID 55785196
1-butylsulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007487
N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027094
1-butylsulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 52639048
N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide
CID 110823079
1-butylsulfonyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 55799096
1-butylsulfonyl-N-(3-chloro-2,6-diethylphenyl)piperidine-4-carboxamide
CID 55770352
1-[5-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971103
1-butylsulfonyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide
CID 52511301
1-butylsulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 55764759
N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43708676

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide (CID 55788014) is 1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(NC(=O)CC)cc2)CC1.
What is the InChIKey of 1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide?
The InChIKey is FIAVDZYDBUGSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-3-5-14-27(25,26)22-12-10-15(11-13-22)19(24)21-17-8-6-16(7-9-17)20-18(23)4-2/h6-9,15H,3-5,10-14H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide?
1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 55788014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).