N-(3-methoxyphenyl)-4-(4-methylpentyl)piperazine-1-carboxamide

C18H29N3O2 — CID 59413874

IUPACN-(3-methoxyphenyl)-4-(4-methylpentyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(CCCC(C)C)CC2)c1
InChIInChI=1S/C18H29N3O2/c1-15(2)6-5-9-20-10-12-21(13-11-20)18(22)19-16-7-4-8-17(14-16)23-3/h4,7-8,14-15H,5-6,9-13H2,1-3H3,(H,19,22)
InChIKeyHSSFVDTUPKSEKQ-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.28
Rot. Bonds6

About N-(3-methoxyphenyl)-4-(4-methylpentyl)piperazine-1-carboxamide

N-(3-methoxyphenyl)-4-(4-methylpentyl)piperazine-1-carboxamide (PubChem CID 59413874) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(4-methylpentyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(4-methylpentyl)piperazine-1-carboxamide
PubChem CID59413874
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-(3-methoxyphenyl)-4-(4-methylpentyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(CCCC(C)C)CC2)c1
InChIInChI=1S/C18H29N3O2/c1-15(2)6-5-9-20-10-12-21(13-11-20)18(22)19-16-7-4-8-17(14-16)23-3/h4,7-8,14-15H,5-6,9-13H2,1-3H3,(H,19,22)
InChIKeyHSSFVDTUPKSEKQ-UHFFFAOYSA-N
XLogP3.28
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-2-hydroxypropyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 95145813
N-(3-methoxyphenyl)-4-propyl-1,4-diazepane-1-carboxamide
CID 47090396
4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide
CID 17183789
N-(3-methoxyphenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide
CID 24733890
4-[2-(2-ethylimidazol-1-yl)ethyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 90561852
4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113110333
N-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61321561
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
N-[2-(3-methoxyphenyl)ethyl]-4-(3-methylbutyl)piperazine-1-carboxamide
CID 113109427
4-[2-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113109366
N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113577
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-(4-methylpentyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-(4-methylpentyl)piperazine-1-carboxamide (CID 59413874) is N-(3-methoxyphenyl)-4-(4-methylpentyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(4-methylpentyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-(4-methylpentyl)piperazine-1-carboxamide is COc1cccc(NC(=O)N2CCN(CCCC(C)C)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(4-methylpentyl)piperazine-1-carboxamide?
The InChIKey is HSSFVDTUPKSEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-15(2)6-5-9-20-10-12-21(13-11-20)18(22)19-16-7-4-8-17(14-16)23-3/h4,7-8,14-15H,5-6,9-13H2,1-3H3,(H,19,22).
What are the key properties of N-(3-methoxyphenyl)-4-(4-methylpentyl)piperazine-1-carboxamide?
N-(3-methoxyphenyl)-4-(4-methylpentyl)piperazine-1-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-(4-methylpentyl)piperazine-1-carboxamide is sourced from PubChem (CID 59413874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).