N-(4-iodophenyl)piperazine-1-carboxamide;hydrochloride

C11H15ClIN3O — CID 165429741

IUPACN-(4-iodophenyl)piperazine-1-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(I)cc1)N1CCNCC1
InChIInChI=1S/C11H14IN3O.ClH/c12-9-1-3-10(4-2-9)14-11(16)15-7-5-13-6-8-15;/h1-4,13H,5-8H2,(H,14,16);1H
InChIKeyVZFIMIGWQWHEFH-UHFFFAOYSA-N
MW367.62 g/mol
LogP2.15
Rot. Bonds1

About N-(4-iodophenyl)piperazine-1-carboxamide;hydrochloride

N-(4-iodophenyl)piperazine-1-carboxamide;hydrochloride (PubChem CID 165429741) has the molecular formula C11H15ClIN3O and a molecular weight of 367.62 g/mol. Its IUPAC name is N-(4-iodophenyl)piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-iodophenyl)piperazine-1-carboxamide;hydrochloride
PubChem CID165429741
Molecular FormulaC11H15ClIN3O
Molecular Weight367.62 g/mol
Exact Mass366.99
IUPAC NameN-(4-iodophenyl)piperazine-1-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(I)cc1)N1CCNCC1
InChIInChI=1S/C11H14IN3O.ClH/c12-9-1-3-10(4-2-9)14-11(16)15-7-5-13-6-8-15;/h1-4,13H,5-8H2,(H,14,16);1H
InChIKeyVZFIMIGWQWHEFH-UHFFFAOYSA-N
XLogP2.15
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.62
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 42886604
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N-(4-nitrophenyl)piperazine-1-carboxamide
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N-(4-piperazin-1-ylphenyl)pyrrolidine-1-carboxamide
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N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide
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N-[4-[(2-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxamide;hydrochloride
CID 161429072
N-(1H-pyrrol-3-yl)piperazine-1-carboxamide
CID 82281793
N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 16771863
2-(1,4-diazepan-1-yl)-N-(4-iodophenyl)acetamide;hydrochloride
CID 119906632
N-(1-methylpyrrol-3-yl)piperazine-1-carboxamide
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CID 82094622

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-(4-iodophenyl)piperazine-1-carboxamide;hydrochloride (CID 165429741) is N-(4-iodophenyl)piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-iodophenyl)piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-(4-iodophenyl)piperazine-1-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(I)cc1)N1CCNCC1.
What is the InChIKey of N-(4-iodophenyl)piperazine-1-carboxamide;hydrochloride?
The InChIKey is VZFIMIGWQWHEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3O.ClH/c12-9-1-3-10(4-2-9)14-11(16)15-7-5-13-6-8-15;/h1-4,13H,5-8H2,(H,14,16);1H.
What are the key properties of N-(4-iodophenyl)piperazine-1-carboxamide;hydrochloride?
N-(4-iodophenyl)piperazine-1-carboxamide;hydrochloride has a molecular weight of 367.62 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 165429741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).