N-(2-butoxy-5-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide

C25H32N2O4 — CID 46441561

IUPACN-(2-butoxy-5-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)C1CCCN(C(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C25H32N2O4/c1-4-5-15-31-23-13-12-21(30-3)16-22(23)26-24(28)20-7-6-14-27(17-20)25(29)19-10-8-18(2)9-11-19/h8-13,16,20H,4-7,14-15,17H2,1-3H3,(H,26,28)
InChIKeyANCNIONLXNLPLG-UHFFFAOYSA-N
MW424.54 g/mol
LogP4.67
Rot. Bonds8

About N-(2-butoxy-5-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide

N-(2-butoxy-5-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide (PubChem CID 46441561) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-(2-butoxy-5-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-butoxy-5-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
PubChem CID46441561
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC NameN-(2-butoxy-5-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)C1CCCN(C(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C25H32N2O4/c1-4-5-15-31-23-13-12-21(30-3)16-22(23)26-24(28)20-7-6-14-27(17-20)25(29)19-10-8-18(2)9-11-19/h8-13,16,20H,4-7,14-15,17H2,1-3H3,(H,26,28)
InChIKeyANCNIONLXNLPLG-UHFFFAOYSA-N
XLogP4.67
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.67
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

N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623806
N'-(3-methoxy-4-propoxybenzoyl)-1-(4-methylbenzoyl)piperidine-3-carbohydrazide
CID 55624623
N-(2-butoxy-5-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55675300
1-(4-butoxy-3-methoxybenzoyl)-N-propylpiperidine-3-carboxamide
CID 49403077
N-(2,4-dimethoxyphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 50803885
(3S)-1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 26735004
methyl 4,5-dimethoxy-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]benzoate
CID 46404099
N-(2,5-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47986267
N-(2-methoxydibenzofuran-3-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46404064
(3R)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078448
N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3151849
N-(2-butoxy-5-methoxyphenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 55675563

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxy-5-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-butoxy-5-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide (CID 46441561) is N-(2-butoxy-5-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-butoxy-5-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-butoxy-5-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide is CCCCOc1ccc(OC)cc1NC(=O)C1CCCN(C(=O)c2ccc(C)cc2)C1.
What is the InChIKey of N-(2-butoxy-5-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The InChIKey is ANCNIONLXNLPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-4-5-15-31-23-13-12-21(30-3)16-22(23)26-24(28)20-7-6-14-27(17-20)25(29)19-10-8-18(2)9-11-19/h8-13,16,20H,4-7,14-15,17H2,1-3H3,(H,26,28).
What are the key properties of N-(2-butoxy-5-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
N-(2-butoxy-5-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxy-5-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 46441561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).