1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide

C15H19ClN2O2S — CID 3859595

IUPAC1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C15H19ClN2O2S/c1-10(21-13-4-2-12(16)3-5-13)15(20)18-8-6-11(7-9-18)14(17)19/h2-5,10-11H,6-9H2,1H3,(H2,17,19)
InChIKeyHMIGQIINEDEFAN-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.54
Rot. Bonds4

About 1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide

1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide (PubChem CID 3859595) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide
PubChem CID3859595
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C15H19ClN2O2S/c1-10(21-13-4-2-12(16)3-5-13)15(20)18-8-6-11(7-9-18)14(17)19/h2-5,10-11H,6-9H2,1H3,(H2,17,19)
InChIKeyHMIGQIINEDEFAN-UHFFFAOYSA-N
XLogP2.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide
CID 848339
(2S)-1-(azepan-1-yl)-2-(4-chlorophenyl)sulfanylpropan-1-one
CID 92662148
(2R)-2-(4-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
CID 785177
2-(4-chlorophenyl)sulfanyl-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62916582
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4-chlorophenyl)sulfanylpropan-1-one
CID 10668383
ethyl 4-[2-(4-chlorophenyl)sulfanylpropanoyl]piperazine-1-carboxylate
CID 132899265
2-(4-chlorophenyl)sulfanyl-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one;hydrochloride
CID 119635542
tert-butyl N-[1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidin-4-yl]carbamate
CID 86992667
2-(4-chlorophenyl)sulfanyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one
CID 55378447
(2R)-2-(4-chlorophenyl)sulfanyl-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 27210102
2-(4-chlorophenyl)sulfanyl-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]propan-1-one
CID 86928896
(2S)-1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-2-carboxylic acid
CID 66262701

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide (CID 3859595) is 1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide is CC(Sc1ccc(Cl)cc1)C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide?
The InChIKey is HMIGQIINEDEFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-10(21-13-4-2-12(16)3-5-13)15(20)18-8-6-11(7-9-18)14(17)19/h2-5,10-11H,6-9H2,1H3,(H2,17,19).
What are the key properties of 1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide?
1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide has a molecular weight of 326.85 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 3859595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).