4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide

C17H27N3O2 — CID 41353621

IUPAC4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
SMILESCCCCCNC(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C17H27N3O2/c1-3-4-7-10-18-17(21)20-13-11-19(12-14-20)15-8-5-6-9-16(15)22-2/h5-6,8-9H,3-4,7,10-14H2,1-2H3,(H,18,21)
InChIKeyDSNAJYXRGJZOEM-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.72
Rot. Bonds6

About 4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide

4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide (PubChem CID 41353621) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
PubChem CID41353621
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
SMILESCCCCCNC(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C17H27N3O2/c1-3-4-7-10-18-17(21)20-13-11-19(12-14-20)15-8-5-6-9-16(15)22-2/h5-6,8-9H,3-4,7,10-14H2,1-2H3,(H,18,21)
InChIKeyDSNAJYXRGJZOEM-UHFFFAOYSA-N
XLogP2.72
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.72
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

N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887102
1-[4-(2-methoxyphenyl)piperazin-1-yl]octadecan-1-one
CID 156635306
N-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide
CID 3398224
4-(3,4-dimethoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 113110884
N-butyl-4-(2-tert-butylphenyl)piperazine-1-carboxamide
CID 113103888
4-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpiperazine-1-carboxamide
CID 113110926
4-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 51274227
4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103270
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide
CID 109216074
4-(2-ethoxyphenyl)-N-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide
CID 60542874
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide
CID 109286431

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide (CID 41353621) is 4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide is CCCCCNC(=O)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide?
The InChIKey is DSNAJYXRGJZOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-3-4-7-10-18-17(21)20-13-11-19(12-14-20)15-8-5-6-9-16(15)22-2/h5-6,8-9H,3-4,7,10-14H2,1-2H3,(H,18,21).
What are the key properties of 4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide?
4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide is sourced from PubChem (CID 41353621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).