3-chloro-2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide

C15H21ClN2O2S — CID 108566261

IUPAC3-chloro-2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
SMILESCC(C)(CCl)C(=O)NC1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C15H21ClN2O2S/c1-15(2,10-16)14(20)17-11-5-7-18(8-6-11)13(19)12-4-3-9-21-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,20)
InChIKeyLJBSBFLCOHHLLF-UHFFFAOYSA-N
MW328.87 g/mol
LogP2.73
Rot. Bonds4

About 3-chloro-2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide

3-chloro-2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide (PubChem CID 108566261) has the molecular formula C15H21ClN2O2S and a molecular weight of 328.87 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
PubChem CID108566261
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.87 g/mol
Exact Mass328.10
IUPAC Name3-chloro-2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
SMILESCC(C)(CCl)C(=O)NC1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C15H21ClN2O2S/c1-15(2,10-16)14(20)17-11-5-7-18(8-6-11)13(19)12-4-3-9-21-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,20)
InChIKeyLJBSBFLCOHHLLF-UHFFFAOYSA-N
XLogP2.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 110820141
3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 108566693
2-methoxy-2-methyl-3-oxo-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]propanoic acid
CID 155957320
N-[1-(thiophene-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446282
2-(1,3-dioxoisoindol-2-yl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108551988
2-(4-methoxyphenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108549910
[3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride
CID 119413673
[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642
[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110822238
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
2-(4-ethoxyphenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108553957

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide (CID 108566261) is 3-chloro-2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide is CC(C)(CCl)C(=O)NC1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is LJBSBFLCOHHLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2S/c1-15(2,10-16)14(20)17-11-5-7-18(8-6-11)13(19)12-4-3-9-21-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,20).
What are the key properties of 3-chloro-2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide?
3-chloro-2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 328.87 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 108566261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).