3-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylpropanamide

C15H22N2O2S — CID 119424304

IUPAC3-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylpropanamide
SMILESCOc1ccc(SCCC(=O)NC2CCCNC2)cc1
InChIInChI=1S/C15H22N2O2S/c1-19-13-4-6-14(7-5-13)20-10-8-15(18)17-12-3-2-9-16-11-12/h4-7,12,16H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyHNTAYGZDVXVTDO-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.05
Rot. Bonds6

About 3-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylpropanamide

3-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylpropanamide (PubChem CID 119424304) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylpropanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylpropanamide
PubChem CID119424304
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name3-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylpropanamide
SMILESCOc1ccc(SCCC(=O)NC2CCCNC2)cc1
InChIInChI=1S/C15H22N2O2S/c1-19-13-4-6-14(7-5-13)20-10-8-15(18)17-12-3-2-9-16-11-12/h4-7,12,16H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyHNTAYGZDVXVTDO-UHFFFAOYSA-N
XLogP2.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylacetamide;hydrochloride
CID 119428950
3-(4-methoxyphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424848
4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide
CID 119426454
4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide;hydrochloride
CID 119426453
3-(4-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119453174
2-(4-chlorophenyl)sulfanyl-N-piperidin-3-ylacetamide
CID 119427074
N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992638
3-(3,5-dimethoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119425554
3-(3-methoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428341
4-(4-methoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119449629
4-(4-acetylphenoxy)-N-piperidin-3-ylbutanamide;hydrochloride
CID 119424890
3-(2-bromophenyl)sulfanyl-N-piperidin-3-ylpropanamide
CID 119425746

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylpropanamide?
The IUPAC name of 3-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylpropanamide (CID 119424304) is 3-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylpropanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylpropanamide?
The canonical SMILES for 3-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylpropanamide is COc1ccc(SCCC(=O)NC2CCCNC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylpropanamide?
The InChIKey is HNTAYGZDVXVTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-19-13-4-6-14(7-5-13)20-10-8-15(18)17-12-3-2-9-16-11-12/h4-7,12,16H,2-3,8-11H2,1H3,(H,17,18).
What are the key properties of 3-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylpropanamide?
3-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylpropanamide has a molecular weight of 294.42 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylpropanamide is sourced from PubChem (CID 119424304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).