N-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-3-methoxybenzamide

C23H30ClN3O2 — CID 10811814

IUPACN-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCCCCN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C23H30ClN3O2/c1-29-22-7-5-6-19(18-22)23(28)25-12-3-2-4-13-26-14-16-27(17-15-26)21-10-8-20(24)9-11-21/h5-11,18H,2-4,12-17H2,1H3,(H,25,28)
InChIKeyWHRQYYUJQYMCLD-UHFFFAOYSA-N
MW415.97 g/mol
LogP4.07
Rot. Bonds9

About N-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-3-methoxybenzamide

N-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-3-methoxybenzamide (PubChem CID 10811814) has the molecular formula C23H30ClN3O2 and a molecular weight of 415.97 g/mol. Its IUPAC name is N-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-3-methoxybenzamide
PubChem CID10811814
Molecular FormulaC23H30ClN3O2
Molecular Weight415.97 g/mol
Exact Mass415.20
IUPAC NameN-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCCCCN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C23H30ClN3O2/c1-29-22-7-5-6-19(18-22)23(28)25-12-3-2-4-13-26-14-16-27(17-15-26)21-10-8-20(24)9-11-21/h5-11,18H,2-4,12-17H2,1H3,(H,25,28)
InChIKeyWHRQYYUJQYMCLD-UHFFFAOYSA-N
XLogP4.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.97
LogP ≤ 54.07
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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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-3-methoxybenzamide?
The IUPAC name of N-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-3-methoxybenzamide (CID 10811814) is N-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-3-methoxybenzamide.
What is the SMILES notation for N-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-3-methoxybenzamide?
The canonical SMILES for N-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCCCCN2CCN(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of N-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-3-methoxybenzamide?
The InChIKey is WHRQYYUJQYMCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O2/c1-29-22-7-5-6-19(18-22)23(28)25-12-3-2-4-13-26-14-16-27(17-15-26)21-10-8-20(24)9-11-21/h5-11,18H,2-4,12-17H2,1H3,(H,25,28).
What are the key properties of N-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-3-methoxybenzamide?
N-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-3-methoxybenzamide has a molecular weight of 415.97 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-3-methoxybenzamide is sourced from PubChem (CID 10811814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).