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

C17H27N3O2 — CID 86912572

IUPAC4-(3-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
SMILESCOc1cccc(N2CCN(C(=O)NCCC(C)C)CC2)c1
InChIInChI=1S/C17H27N3O2/c1-14(2)7-8-18-17(21)20-11-9-19(10-12-20)15-5-4-6-16(13-15)22-3/h4-6,13-14H,7-12H2,1-3H3,(H,18,21)
InChIKeyWPQQALJRASDUFX-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.57
Rot. Bonds5

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

4-(3-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide (PubChem CID 86912572) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
PubChem CID86912572
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name4-(3-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
SMILESCOc1cccc(N2CCN(C(=O)NCCC(C)C)CC2)c1
InChIInChI=1S/C17H27N3O2/c1-14(2)7-8-18-17(21)20-11-9-19(10-12-20)15-5-4-6-16(13-15)22-3/h4-6,13-14H,7-12H2,1-3H3,(H,18,21)
InChIKeyWPQQALJRASDUFX-UHFFFAOYSA-N
XLogP2.57
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 78768997
N-(3-methylbutyl)-4-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113110756
N-(3-methylbutyl)-4-(4-methylphenyl)piperazine-1-carboxamide
CID 113110708
N-[2-(3-methoxyphenyl)ethyl]-4-(3-methylbutyl)piperazine-1-carboxamide
CID 113109427
N-[(3,4-dimethoxyphenyl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 38210733
4-(3,4-dimethoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109461
4-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 80542376
3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 60835678
4-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113110731
N-[(1S)-1-(furan-2-yl)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 94017976
4-(4-tert-butylphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109445
2-(2-methoxyethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119829459

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide (CID 86912572) is 4-(3-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide is COc1cccc(N2CCN(C(=O)NCCC(C)C)CC2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide?
The InChIKey is WPQQALJRASDUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14(2)7-8-18-17(21)20-11-9-19(10-12-20)15-5-4-6-16(13-15)22-3/h4-6,13-14H,7-12H2,1-3H3,(H,18,21).
What are the key properties of 4-(3-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide?
4-(3-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide is sourced from PubChem (CID 86912572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).