N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]thiophene-3-carboxamide

C12H15ClN2O2S — CID 86334993

IUPACN-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]thiophene-3-carboxamide
SMILESO=C(N[C@@H]1CCCN(C(=O)CCl)C1)c1ccsc1
InChIInChI=1S/C12H15ClN2O2S/c13-6-11(16)15-4-1-2-10(7-15)14-12(17)9-3-5-18-8-9/h3,5,8,10H,1-2,4,6-7H2,(H,14,17)/t10-/m1/s1
InChIKeyHVAGRMQBCIQYKK-SNVBAGLBSA-N
MW286.78 g/mol
LogP1.71
Rot. Bonds3

About N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]thiophene-3-carboxamide

N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]thiophene-3-carboxamide (PubChem CID 86334993) has the molecular formula C12H15ClN2O2S and a molecular weight of 286.78 g/mol. Its IUPAC name is N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]thiophene-3-carboxamide
PubChem CID86334993
Molecular FormulaC12H15ClN2O2S
Molecular Weight286.78 g/mol
Exact Mass286.05
IUPAC NameN-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]thiophene-3-carboxamide
SMILESO=C(N[C@@H]1CCCN(C(=O)CCl)C1)c1ccsc1
InChIInChI=1S/C12H15ClN2O2S/c13-6-11(16)15-4-1-2-10(7-15)14-12(17)9-3-5-18-8-9/h3,5,8,10H,1-2,4,6-7H2,(H,14,17)/t10-/m1/s1
InChIKeyHVAGRMQBCIQYKK-SNVBAGLBSA-N
XLogP1.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 51.71
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

N-[1-(2-chloroacetyl)piperidin-3-yl]thiophene-3-carboxamide
CID 71304757
1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 43355929
N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]thiophene-3-carboxamide
CID 95136995
benzyl N-[(3S)-1-(2-chloroacetyl)piperidin-3-yl]carbamate
CID 66566590
N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 71645364
2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 58168404
N-[4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
CID 110886904
(3S)-1-[4-(thiophene-3-carbonylamino)butanoyl]piperidine-3-carboxylic acid
CID 119174270
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119305242
N-[(3R)-1-(dimethylsulfamoyl)azepan-3-yl]thiophene-3-carboxamide
CID 96581050
N-(azetidin-3-yl)thiophene-3-carboxamide
CID 66187231
N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]thiophene-3-carboxamide
CID 129475720

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]thiophene-3-carboxamide?
The IUPAC name of N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]thiophene-3-carboxamide (CID 86334993) is N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]thiophene-3-carboxamide is O=C(N[C@@H]1CCCN(C(=O)CCl)C1)c1ccsc1.
What is the InChIKey of N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]thiophene-3-carboxamide?
The InChIKey is HVAGRMQBCIQYKK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15ClN2O2S/c13-6-11(16)15-4-1-2-10(7-15)14-12(17)9-3-5-18-8-9/h3,5,8,10H,1-2,4,6-7H2,(H,14,17)/t10-/m1/s1.
What are the key properties of N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]thiophene-3-carboxamide?
N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]thiophene-3-carboxamide has a molecular weight of 286.78 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 86334993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).