N-[1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide

C19H22ClN3O2S — CID 47550206

IUPACN-[1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(CN1CCC(NC(=O)c2ccsc2)CC1)NCc1cccc(Cl)c1
InChIInChI=1S/C19H22ClN3O2S/c20-16-3-1-2-14(10-16)11-21-18(24)12-23-7-4-17(5-8-23)22-19(25)15-6-9-26-13-15/h1-3,6,9-10,13,17H,4-5,7-8,11-12H2,(H,21,24)(H,22,25)
InChIKeyPJFDFKODRQNHDK-UHFFFAOYSA-N
MW391.92 g/mol
LogP2.91
Rot. Bonds6

About N-[1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide

N-[1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 47550206) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is N-[1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide
PubChem CID47550206
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC NameN-[1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(CN1CCC(NC(=O)c2ccsc2)CC1)NCc1cccc(Cl)c1
InChIInChI=1S/C19H22ClN3O2S/c20-16-3-1-2-14(10-16)11-21-18(24)12-23-7-4-17(5-8-23)22-19(25)15-6-9-26-13-15/h1-3,6,9-10,13,17H,4-5,7-8,11-12H2,(H,21,24)(H,22,25)
InChIKeyPJFDFKODRQNHDK-UHFFFAOYSA-N
XLogP2.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(3-chloroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47549626
N-[[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]thiophene-3-carboxamide
CID 95204634
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 77002400
N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47550268
N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 8900692
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-[(3-chlorophenyl)methyl]acetamide
CID 11940864
N-[1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 86842848
N-[1-(4-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
CID 110931733
N-(5-chloro-2-hydroxyphenyl)-1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 60511834
N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 1445053
1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 86789165
2-(4-aminopiperidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 79328116

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide (CID 47550206) is N-[1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide is O=C(CN1CCC(NC(=O)c2ccsc2)CC1)NCc1cccc(Cl)c1.
What is the InChIKey of N-[1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is PJFDFKODRQNHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c20-16-3-1-2-14(10-16)11-21-18(24)12-23-7-4-17(5-8-23)22-19(25)15-6-9-26-13-15/h1-3,6,9-10,13,17H,4-5,7-8,11-12H2,(H,21,24)(H,22,25).
What are the key properties of N-[1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide?
N-[1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 391.92 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 47550206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).