N-[1-[3-(3-chloroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide

C19H22ClN3O2S — CID 47549626

IUPACN-[1-[3-(3-chloroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(CCN1CCC(NC(=O)c2ccsc2)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H22ClN3O2S/c20-15-2-1-3-17(12-15)21-18(24)6-10-23-8-4-16(5-9-23)22-19(25)14-7-11-26-13-14/h1-3,7,11-13,16H,4-6,8-10H2,(H,21,24)(H,22,25)
InChIKeyXLIWRBXOCATEPD-UHFFFAOYSA-N
MW391.92 g/mol
LogP3.62
Rot. Bonds6

About N-[1-[3-(3-chloroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide

N-[1-[3-(3-chloroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 47549626) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is N-[1-[3-(3-chloroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(3-chloroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide
PubChem CID47549626
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC NameN-[1-[3-(3-chloroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(CCN1CCC(NC(=O)c2ccsc2)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H22ClN3O2S/c20-15-2-1-3-17(12-15)21-18(24)6-10-23-8-4-16(5-9-23)22-19(25)14-7-11-26-13-14/h1-3,7,11-13,16H,4-6,8-10H2,(H,21,24)(H,22,25)
InChIKeyXLIWRBXOCATEPD-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47549640
N-[1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47550206
N-(3-chlorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014570
3-(4-benzoylpiperidin-1-yl)-N-(3-chlorophenyl)propanamide
CID 33215010
N-[1-(4-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
CID 110931733
N-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 53313683
N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47550268
3-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)propanamide;hydrochloride
CID 119905402
3-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-chlorophenyl)propanamide
CID 114961218
N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 111439582
N-[1-(4-anilino-4-oxobutyl)piperidin-4-yl]benzamide
CID 57114875
N-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661841

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-chloroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-[3-(3-chloroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide (CID 47549626) is N-[1-[3-(3-chloroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-[3-(3-chloroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-[3-(3-chloroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide is O=C(CCN1CCC(NC(=O)c2ccsc2)CC1)Nc1cccc(Cl)c1.
What is the InChIKey of N-[1-[3-(3-chloroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is XLIWRBXOCATEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c20-15-2-1-3-17(12-15)21-18(24)6-10-23-8-4-16(5-9-23)22-19(25)14-7-11-26-13-14/h1-3,7,11-13,16H,4-6,8-10H2,(H,21,24)(H,22,25).
What are the key properties of N-[1-[3-(3-chloroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide?
N-[1-[3-(3-chloroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 391.92 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-chloroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 47549626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).