(3R)-N-[4-(3-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide

C25H30N2O4 — CID 26397760

IUPAC(3R)-N-[4-(3-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide
SMILESCOc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)C4CCOCC4)C3)cc2)c1
InChIInChI=1S/C25H30N2O4/c1-30-23-6-2-4-20(16-23)18-7-9-22(10-8-18)26-24(28)21-5-3-13-27(17-21)25(29)19-11-14-31-15-12-19/h2,4,6-10,16,19,21H,3,5,11-15,17H2,1H3,(H,26,28)/t21-/m1/s1
InChIKeyUXSXALNTEWHGID-OAQYLSRUSA-N
MW422.53 g/mol
LogP3.97
Rot. Bonds5

About (3R)-N-[4-(3-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide

(3R)-N-[4-(3-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide (PubChem CID 26397760) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is (3R)-N-[4-(3-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(3-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide
PubChem CID26397760
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name(3R)-N-[4-(3-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide
SMILESCOc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)C4CCOCC4)C3)cc2)c1
InChIInChI=1S/C25H30N2O4/c1-30-23-6-2-4-20(16-23)18-7-9-22(10-8-18)26-24(28)21-5-3-13-27(17-21)25(29)19-11-14-31-15-12-19/h2,4,6-10,16,19,21H,3,5,11-15,17H2,1H3,(H,26,28)/t21-/m1/s1
InChIKeyUXSXALNTEWHGID-OAQYLSRUSA-N
XLogP3.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[4-(3-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide with MolForge

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Related Compounds

methyl 3-[[4-(3-methoxyphenyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 72901973
N-[4-(3-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide
CID 45212597
(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-methylbutanoyl)piperidine-3-carboxamide
CID 25379326
(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidine-3-carboxamide
CID 42459003
(3S)-1-N-[4-(3-methoxyphenyl)phenyl]piperidine-1,3-dicarboxamide
CID 97274473
N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxamide
CID 45207506
1-(cyclopropanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 45236502
(3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 42567058
1-(furan-2-ylmethyl)-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 24790060
(3R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 26871829
(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 25482833
tert-butyl 3-[(3-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24535934

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(3-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-(3-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide (CID 26397760) is (3R)-N-[4-(3-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-(3-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-(3-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide is COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)C4CCOCC4)C3)cc2)c1.
What is the InChIKey of (3R)-N-[4-(3-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is UXSXALNTEWHGID-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-30-23-6-2-4-20(16-23)18-7-9-22(10-8-18)26-24(28)21-5-3-13-27(17-21)25(29)19-11-14-31-15-12-19/h2,4,6-10,16,19,21H,3,5,11-15,17H2,1H3,(H,26,28)/t21-/m1/s1.
What are the key properties of (3R)-N-[4-(3-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide?
(3R)-N-[4-(3-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(3-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 26397760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).