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

C22H28ClN3O2 — CID 10644771

IUPACN-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCCCN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C22H28ClN3O2/c1-28-21-6-4-5-18(17-21)22(27)24-11-2-3-12-25-13-15-26(16-14-25)20-9-7-19(23)8-10-20/h4-10,17H,2-3,11-16H2,1H3,(H,24,27)
InChIKeyAUKXTTDRFKLJIH-UHFFFAOYSA-N
MW401.94 g/mol
LogP3.68
Rot. Bonds8

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

N-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3-methoxybenzamide (PubChem CID 10644771) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is N-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3-methoxybenzamide
PubChem CID10644771
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC NameN-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCCCN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C22H28ClN3O2/c1-28-21-6-4-5-18(17-21)22(27)24-11-2-3-12-25-13-15-26(16-14-25)20-9-7-19(23)8-10-20/h4-10,17H,2-3,11-16H2,1H3,(H,24,27)
InChIKeyAUKXTTDRFKLJIH-UHFFFAOYSA-N
XLogP3.68
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 53.68
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-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3-methoxybenzamide?
The IUPAC name of N-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3-methoxybenzamide (CID 10644771) is N-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCCCN2CCN(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of N-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3-methoxybenzamide?
The InChIKey is AUKXTTDRFKLJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O2/c1-28-21-6-4-5-18(17-21)22(27)24-11-2-3-12-25-13-15-26(16-14-25)20-9-7-19(23)8-10-20/h4-10,17H,2-3,11-16H2,1H3,(H,24,27).
What are the key properties of N-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3-methoxybenzamide?
N-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3-methoxybenzamide has a molecular weight of 401.94 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3-methoxybenzamide is sourced from PubChem (CID 10644771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).