5-phenyl-N-(3-piperazin-1-ylpropyl)-1H-pyrrole-2-carboxamide;hydrochloride

C18H25ClN4O — CID 119392506

IUPAC5-phenyl-N-(3-piperazin-1-ylpropyl)-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1ccc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H24N4O.ClH/c23-18(20-9-4-12-22-13-10-19-11-14-22)17-8-7-16(21-17)15-5-2-1-3-6-15;/h1-3,5-8,19,21H,4,9-14H2,(H,20,23);1H
InChIKeyWJHRNJMQHLJHTR-UHFFFAOYSA-N
MW348.88 g/mol
LogP2.13
Rot. Bonds6

About 5-phenyl-N-(3-piperazin-1-ylpropyl)-1H-pyrrole-2-carboxamide;hydrochloride

5-phenyl-N-(3-piperazin-1-ylpropyl)-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 119392506) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is 5-phenyl-N-(3-piperazin-1-ylpropyl)-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-phenyl-N-(3-piperazin-1-ylpropyl)-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID119392506
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name5-phenyl-N-(3-piperazin-1-ylpropyl)-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1ccc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H24N4O.ClH/c23-18(20-9-4-12-22-13-10-19-11-14-22)17-8-7-16(21-17)15-5-2-1-3-6-15;/h1-3,5-8,19,21H,4,9-14H2,(H,20,23);1H
InChIKeyWJHRNJMQHLJHTR-UHFFFAOYSA-N
XLogP2.13
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
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N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
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CID 119390823
N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 119391130
1-benzyl-3-(3-piperazin-1-ylpropyl)urea
CID 107653368
4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
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N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride
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N-(3-piperazin-1-ylpropyl)isoquinoline-1-carboxamide;dihydrochloride
CID 119392304
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride
CID 119393815

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(3-piperazin-1-ylpropyl)-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 5-phenyl-N-(3-piperazin-1-ylpropyl)-1H-pyrrole-2-carboxamide;hydrochloride (CID 119392506) is 5-phenyl-N-(3-piperazin-1-ylpropyl)-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-phenyl-N-(3-piperazin-1-ylpropyl)-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 5-phenyl-N-(3-piperazin-1-ylpropyl)-1H-pyrrole-2-carboxamide;hydrochloride is Cl.O=C(NCCCN1CCNCC1)c1ccc(-c2ccccc2)[nH]1.
What is the InChIKey of 5-phenyl-N-(3-piperazin-1-ylpropyl)-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is WJHRNJMQHLJHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.ClH/c23-18(20-9-4-12-22-13-10-19-11-14-22)17-8-7-16(21-17)15-5-2-1-3-6-15;/h1-3,5-8,19,21H,4,9-14H2,(H,20,23);1H.
What are the key properties of 5-phenyl-N-(3-piperazin-1-ylpropyl)-1H-pyrrole-2-carboxamide;hydrochloride?
5-phenyl-N-(3-piperazin-1-ylpropyl)-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 348.88 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(3-piperazin-1-ylpropyl)-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119392506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).