4-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpiperazine-1-carboxamide

C18H28ClN3O2 — CID 113110926

IUPAC4-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpiperazine-1-carboxamide
SMILESCCCCCNC(=O)N1CCN(c2cc(C)c(Cl)cc2OC)CC1
InChIInChI=1S/C18H28ClN3O2/c1-4-5-6-7-20-18(23)22-10-8-21(9-11-22)16-12-14(2)15(19)13-17(16)24-3/h12-13H,4-11H2,1-3H3,(H,20,23)
InChIKeyUSSCWICYBYZXRE-UHFFFAOYSA-N
MW353.89 g/mol
LogP3.68
Rot. Bonds6

About 4-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpiperazine-1-carboxamide

4-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpiperazine-1-carboxamide (PubChem CID 113110926) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 4-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpiperazine-1-carboxamide
PubChem CID113110926
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name4-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpiperazine-1-carboxamide
SMILESCCCCCNC(=O)N1CCN(c2cc(C)c(Cl)cc2OC)CC1
InChIInChI=1S/C18H28ClN3O2/c1-4-5-6-7-20-18(23)22-10-8-21(9-11-22)16-12-14(2)15(19)13-17(16)24-3/h12-13H,4-11H2,1-3H3,(H,20,23)
InChIKeyUSSCWICYBYZXRE-UHFFFAOYSA-N
XLogP3.68
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 41353621
4-(4-chloro-2-methoxy-5-methylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111710
1-[4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 113080603
4-(3,4-dimethoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 113110884
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
4-(4-chloro-2,5-dimethoxyphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104137
N-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide
CID 3398224
1-[4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 113080639
1-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpiperidin-4-amine
CID 60861458
4-(5-chloro-2-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 27539448
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpropanediamide
CID 108951986
4-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113110731

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpiperazine-1-carboxamide (CID 113110926) is 4-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpiperazine-1-carboxamide is CCCCCNC(=O)N1CCN(c2cc(C)c(Cl)cc2OC)CC1.
What is the InChIKey of 4-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpiperazine-1-carboxamide?
The InChIKey is USSCWICYBYZXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O2/c1-4-5-6-7-20-18(23)22-10-8-21(9-11-22)16-12-14(2)15(19)13-17(16)24-3/h12-13H,4-11H2,1-3H3,(H,20,23).
What are the key properties of 4-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpiperazine-1-carboxamide?
4-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpiperazine-1-carboxamide has a molecular weight of 353.89 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpiperazine-1-carboxamide is sourced from PubChem (CID 113110926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).