5-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-carboxamide

C18H22ClN3OS — CID 38449040

IUPAC5-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2)CC1)c1ccc(Cl)s1
InChIInChI=1S/C18H22ClN3OS/c19-17-8-7-16(24-17)18(23)20-9-4-10-21-11-13-22(14-12-21)15-5-2-1-3-6-15/h1-3,5-8H,4,9-14H2,(H,20,23)
InChIKeyKVHUVAUJTMNVLD-UHFFFAOYSA-N
MW363.91 g/mol
LogP3.34
Rot. Bonds6

About 5-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-carboxamide

5-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-carboxamide (PubChem CID 38449040) has the molecular formula C18H22ClN3OS and a molecular weight of 363.91 g/mol. Its IUPAC name is 5-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-carboxamide
PubChem CID38449040
Molecular FormulaC18H22ClN3OS
Molecular Weight363.91 g/mol
Exact Mass363.12
IUPAC Name5-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2)CC1)c1ccc(Cl)s1
InChIInChI=1S/C18H22ClN3OS/c19-17-8-7-16(24-17)18(23)20-9-4-10-21-11-13-22(14-12-21)15-5-2-1-3-6-15/h1-3,5-8H,4,9-14H2,(H,20,23)
InChIKeyKVHUVAUJTMNVLD-UHFFFAOYSA-N
XLogP3.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[2-oxo-2-[3-(4-phenylpiperazin-1-yl)propylamino]ethyl]thiophene-2-carboxamide
CID 55853534
2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224466
2,3-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448999
5-chloro-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 25237516
5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-carboxamide
CID 90500681
2,4-dichloro-5-fluoro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33136012
N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 43071347
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide
CID 20940525
1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22430326
N'-(2-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]oxamide
CID 42390241
2-chloro-5-methylsulfanyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448922
2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224502

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-carboxamide (CID 38449040) is 5-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-carboxamide is O=C(NCCCN1CCN(c2ccccc2)CC1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-carboxamide?
The InChIKey is KVHUVAUJTMNVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3OS/c19-17-8-7-16(24-17)18(23)20-9-4-10-21-11-13-22(14-12-21)15-5-2-1-3-6-15/h1-3,5-8H,4,9-14H2,(H,20,23).
What are the key properties of 5-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-carboxamide?
5-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-carboxamide has a molecular weight of 363.91 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 38449040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).