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

C21H26ClN3O2 — CID 10000302

IUPACN-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCCN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C21H26ClN3O2/c1-27-20-5-2-4-17(16-20)21(26)23-10-3-11-24-12-14-25(15-13-24)19-8-6-18(22)7-9-19/h2,4-9,16H,3,10-15H2,1H3,(H,23,26)
InChIKeyAECUHGGFVKDBMH-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.29
Rot. Bonds7

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

N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-methoxybenzamide (PubChem CID 10000302) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-methoxybenzamide
PubChem CID10000302
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCCN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C21H26ClN3O2/c1-27-20-5-2-4-17(16-20)21(26)23-10-3-11-24-12-14-25(15-13-24)19-8-6-18(22)7-9-19/h2,4-9,16H,3,10-15H2,1H3,(H,23,26)
InChIKeyAECUHGGFVKDBMH-UHFFFAOYSA-N
XLogP3.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.29
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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Related Compounds

6-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)hexan-1-one
CID 10573099
3-cyano-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 39990286
3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 31413337
3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide
CID 110441580
3,4-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzamide
CID 42273536
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3,4-difluorobenzamide
CID 42273607
N-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-2-carboxamide
CID 11270403
5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
CID 42273491
3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 31568208
N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 44589131
N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide
CID 22322400
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-phenylbenzamide
CID 41277718

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-methoxybenzamide?
The IUPAC name of N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-methoxybenzamide (CID 10000302) is N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-methoxybenzamide?
The canonical SMILES for N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCCN2CCN(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-methoxybenzamide?
The InChIKey is AECUHGGFVKDBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-27-20-5-2-4-17(16-20)21(26)23-10-3-11-24-12-14-25(15-13-24)19-8-6-18(22)7-9-19/h2,4-9,16H,3,10-15H2,1H3,(H,23,26).
What are the key properties of N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-methoxybenzamide?
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-methoxybenzamide has a molecular weight of 387.91 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-methoxybenzamide is sourced from PubChem (CID 10000302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).