3-(5-chlorothiophen-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide

C15H23ClN2OS — CID 60508108

IUPAC3-(5-chlorothiophen-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide
SMILESCC(CN1CCCCC1)NC(=O)CCc1ccc(Cl)s1
InChIInChI=1S/C15H23ClN2OS/c1-12(11-18-9-3-2-4-10-18)17-15(19)8-6-13-5-7-14(16)20-13/h5,7,12H,2-4,6,8-11H2,1H3,(H,17,19)
InChIKeyOKKMJSDSNPYGTH-UHFFFAOYSA-N
MW314.88 g/mol
LogP3.32
Rot. Bonds6

About 3-(5-chlorothiophen-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide

3-(5-chlorothiophen-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide (PubChem CID 60508108) has the molecular formula C15H23ClN2OS and a molecular weight of 314.88 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide
PubChem CID60508108
Molecular FormulaC15H23ClN2OS
Molecular Weight314.88 g/mol
Exact Mass314.12
IUPAC Name3-(5-chlorothiophen-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide
SMILESCC(CN1CCCCC1)NC(=O)CCc1ccc(Cl)s1
InChIInChI=1S/C15H23ClN2OS/c1-12(11-18-9-3-2-4-10-18)17-15(19)8-6-13-5-7-14(16)20-13/h5,7,12H,2-4,6,8-11H2,1H3,(H,17,19)
InChIKeyOKKMJSDSNPYGTH-UHFFFAOYSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chlorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)propanamide
CID 78888236
4-chloro-N-(1-piperidin-1-ylpropan-2-yl)butanamide
CID 63307575
5-(4-bromophenyl)-N-(1-piperidin-1-ylpropan-2-yl)pentanamide
CID 60508198
2-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)acetamide
CID 43695360
4-hydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)pentanamide
CID 79192946
N-butan-2-yl-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide
CID 47007098
5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pentanamide
CID 61473760
3-(4-morpholin-4-ylsulfonylphenyl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide
CID 55652257
5-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625100
2-chloro-N-(1-piperidin-1-ylpropan-2-yl)furan-3-carboxamide
CID 106685808
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(5-chlorothiophen-2-yl)propanamide
CID 100838666
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(5-chlorothiophen-2-yl)propanamide
CID 110004644

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide (CID 60508108) is 3-(5-chlorothiophen-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide is CC(CN1CCCCC1)NC(=O)CCc1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide?
The InChIKey is OKKMJSDSNPYGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2OS/c1-12(11-18-9-3-2-4-10-18)17-15(19)8-6-13-5-7-14(16)20-13/h5,7,12H,2-4,6,8-11H2,1H3,(H,17,19).
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide?
3-(5-chlorothiophen-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide has a molecular weight of 314.88 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide is sourced from PubChem (CID 60508108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).