3-butoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide

C24H30N2O3 — CID 17179701

IUPAC3-butoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCCCCOc1cccc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)c1
InChIInChI=1S/C24H30N2O3/c1-3-4-16-29-22-7-5-6-20(17-22)23(27)25-21-10-8-19(9-11-21)24(28)26-14-12-18(2)13-15-26/h5-11,17-18H,3-4,12-16H2,1-2H3,(H,25,27)
InChIKeyXURCROIUFZNFKT-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.99
Rot. Bonds7

About 3-butoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide

3-butoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide (PubChem CID 17179701) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 3-butoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-butoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
PubChem CID17179701
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name3-butoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCCCCOc1cccc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)c1
InChIInChI=1S/C24H30N2O3/c1-3-4-16-29-22-7-5-6-20(17-22)23(27)25-21-10-8-19(9-11-21)24(28)26-14-12-18(2)13-15-26/h5-11,17-18H,3-4,12-16H2,1-2H3,(H,25,27)
InChIKeyXURCROIUFZNFKT-UHFFFAOYSA-N
XLogP4.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.99
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

3-(3-methylbutoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17179710
2-[3-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid
CID 119182217
3-ethoxy-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 17179847
N-(3-hexoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830769
3-ethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17196395
4-butoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17196372
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
3-(4-methylpiperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)benzamide
CID 109052369
N-(4-heptoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830572
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-butoxybenzamide
CID 3140260

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-butoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide (CID 17179701) is 3-butoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-butoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-butoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide is CCCCOc1cccc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)c1.
What is the InChIKey of 3-butoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is XURCROIUFZNFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-3-4-16-29-22-7-5-6-20(17-22)23(27)25-21-10-8-19(9-11-21)24(28)26-14-12-18(2)13-15-26/h5-11,17-18H,3-4,12-16H2,1-2H3,(H,25,27).
What are the key properties of 3-butoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
3-butoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 394.52 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 17179701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).