N-(2-methoxydibenzofuran-3-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide

C27H26N2O4 — CID 46404064

IUPACN-(2-methoxydibenzofuran-3-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCOc1cc2c(cc1NC(=O)C1CCCN(C(=O)c3ccc(C)cc3)C1)oc1ccccc12
InChIInChI=1S/C27H26N2O4/c1-17-9-11-18(12-10-17)27(31)29-13-5-6-19(16-29)26(30)28-22-15-24-21(14-25(22)32-2)20-7-3-4-8-23(20)33-24/h3-4,7-12,14-15,19H,5-6,13,16H2,1-2H3,(H,28,30)
InChIKeyKTNKXPBIWZKWCJ-UHFFFAOYSA-N
MW442.52 g/mol
LogP5.39
Rot. Bonds4

About N-(2-methoxydibenzofuran-3-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide

N-(2-methoxydibenzofuran-3-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide (PubChem CID 46404064) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
PubChem CID46404064
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCOc1cc2c(cc1NC(=O)C1CCCN(C(=O)c3ccc(C)cc3)C1)oc1ccccc12
InChIInChI=1S/C27H26N2O4/c1-17-9-11-18(12-10-17)27(31)29-13-5-6-19(16-29)26(30)28-22-15-24-21(14-25(22)32-2)20-7-3-4-8-23(20)33-24/h3-4,7-12,14-15,19H,5-6,13,16H2,1-2H3,(H,28,30)
InChIKeyKTNKXPBIWZKWCJ-UHFFFAOYSA-N
XLogP5.39
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-chlorobenzoyl)-N-(2-methoxydibenzofuran-3-yl)piperidine-3-carboxamide
CID 2111778
1-(4-fluorobenzoyl)-N-(2-methoxydibenzofuran-3-yl)piperidine-4-carboxamide
CID 26413483
methyl 4,5-dimethoxy-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]benzoate
CID 46404099
N-(2-methoxydibenzofuran-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43013525
N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate
CID 55817891
ethyl 1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 3532935
ethyl (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 7745268
N-(2-butoxy-5-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46441561
2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119218307
N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623806
N-(2,4-dimethoxyphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 50803885

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide (CID 46404064) is N-(2-methoxydibenzofuran-3-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide is COc1cc2c(cc1NC(=O)C1CCCN(C(=O)c3ccc(C)cc3)C1)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The InChIKey is KTNKXPBIWZKWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-17-9-11-18(12-10-17)27(31)29-13-5-6-19(16-29)26(30)28-22-15-24-21(14-25(22)32-2)20-7-3-4-8-23(20)33-24/h3-4,7-12,14-15,19H,5-6,13,16H2,1-2H3,(H,28,30).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
N-(2-methoxydibenzofuran-3-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 46404064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).