methyl 3-[[4-(3-methoxyphenyl)phenyl]carbamoyl]piperidine-1-carboxylate

C21H24N2O4 — CID 72901973

IUPACmethyl 3-[[4-(3-methoxyphenyl)phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(C(=O)Nc2ccc(-c3cccc(OC)c3)cc2)C1
InChIInChI=1S/C21H24N2O4/c1-26-19-7-3-5-16(13-19)15-8-10-18(11-9-15)22-20(24)17-6-4-12-23(14-17)21(25)27-2/h3,5,7-11,13,17H,4,6,12,14H2,1-2H3,(H,22,24)
InChIKeyDAOIQMOSQGFPLL-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.78
Rot. Bonds4

About methyl 3-[[4-(3-methoxyphenyl)phenyl]carbamoyl]piperidine-1-carboxylate

methyl 3-[[4-(3-methoxyphenyl)phenyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 72901973) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is methyl 3-[[4-(3-methoxyphenyl)phenyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[4-(3-methoxyphenyl)phenyl]carbamoyl]piperidine-1-carboxylate
PubChem CID72901973
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Namemethyl 3-[[4-(3-methoxyphenyl)phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(C(=O)Nc2ccc(-c3cccc(OC)c3)cc2)C1
InChIInChI=1S/C21H24N2O4/c1-26-19-7-3-5-16(13-19)15-8-10-18(11-9-15)22-20(24)17-6-4-12-23(14-17)21(25)27-2/h3,5,7-11,13,17H,4,6,12,14H2,1-2H3,(H,22,24)
InChIKeyDAOIQMOSQGFPLL-UHFFFAOYSA-N
XLogP3.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[4-(3-methoxyphenyl)phenyl]carbamoyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-[4-(3-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide
CID 26397760
(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-methylbutanoyl)piperidine-3-carboxamide
CID 25379326
(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
(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidine-3-carboxamide
CID 42459003
tert-butyl 3-[(3-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24535934
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
tert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24513638
(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 25482833
methyl (3S)-3-[[4-(ethoxycarbonylamino)phenyl]carbamoyl]piperidine-1-carboxylate
CID 95593872
1-(cyclopropanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 45236502

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(3-methoxyphenyl)phenyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of methyl 3-[[4-(3-methoxyphenyl)phenyl]carbamoyl]piperidine-1-carboxylate (CID 72901973) is methyl 3-[[4-(3-methoxyphenyl)phenyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-[[4-(3-methoxyphenyl)phenyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 3-[[4-(3-methoxyphenyl)phenyl]carbamoyl]piperidine-1-carboxylate is COC(=O)N1CCCC(C(=O)Nc2ccc(-c3cccc(OC)c3)cc2)C1.
What is the InChIKey of methyl 3-[[4-(3-methoxyphenyl)phenyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is DAOIQMOSQGFPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-19-7-3-5-16(13-19)15-8-10-18(11-9-15)22-20(24)17-6-4-12-23(14-17)21(25)27-2/h3,5,7-11,13,17H,4,6,12,14H2,1-2H3,(H,22,24).
What are the key properties of methyl 3-[[4-(3-methoxyphenyl)phenyl]carbamoyl]piperidine-1-carboxylate?
methyl 3-[[4-(3-methoxyphenyl)phenyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 368.43 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(3-methoxyphenyl)phenyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 72901973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).