N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide

C24H32ClN5O — CID 46384776

IUPACN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C24H32ClN5O/c25-21-3-1-4-23(19-21)30-17-15-28(16-18-30)12-2-9-27-24(31)20-7-13-29(14-8-20)22-5-10-26-11-6-22/h1,3-6,10-11,19-20H,2,7-9,12-18H2,(H,27,31)
InChIKeyRVWLJSANQLJSOZ-UHFFFAOYSA-N
MW442.01 g/mol
LogP3.28
Rot. Bonds7

About N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 46384776) has the molecular formula C24H32ClN5O and a molecular weight of 442.01 g/mol. Its IUPAC name is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID46384776
Molecular FormulaC24H32ClN5O
Molecular Weight442.01 g/mol
Exact Mass441.23
IUPAC NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C24H32ClN5O/c25-21-3-1-4-23(19-21)30-17-15-28(16-18-30)12-2-9-27-24(31)20-7-13-29(14-8-20)22-5-10-26-11-6-22/h1,3-6,10-11,19-20H,2,7-9,12-18H2,(H,27,31)
InChIKeyRVWLJSANQLJSOZ-UHFFFAOYSA-N
XLogP3.28
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.01
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide (CID 46384776) is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide is O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)C1CCN(c2ccncc2)CC1.
What is the InChIKey of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is RVWLJSANQLJSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN5O/c25-21-3-1-4-23(19-21)30-17-15-28(16-18-30)12-2-9-27-24(31)20-7-13-29(14-8-20)22-5-10-26-11-6-22/h1,3-6,10-11,19-20H,2,7-9,12-18H2,(H,27,31).
What are the key properties of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 442.01 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 46384776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).