(3R)-N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide

C14H18N2O4 — CID 807343

IUPAC(3R)-N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)[C@@H]2CCCNC2=O)c1
InChIInChI=1S/C14H18N2O4/c1-19-9-5-6-12(20-2)11(8-9)16-14(18)10-4-3-7-15-13(10)17/h5-6,8,10H,3-4,7H2,1-2H3,(H,15,17)(H,16,18)/t10-/m1/s1
InChIKeySRFJLFPOTVRMKY-SNVBAGLBSA-N
MW278.31 g/mol
LogP1.17
Rot. Bonds4

About (3R)-N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide

(3R)-N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide (PubChem CID 807343) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (3R)-N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide
PubChem CID807343
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(3R)-N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)[C@@H]2CCCNC2=O)c1
InChIInChI=1S/C14H18N2O4/c1-19-9-5-6-12(20-2)11(8-9)16-14(18)10-4-3-7-15-13(10)17/h5-6,8,10H,3-4,7H2,1-2H3,(H,15,17)(H,16,18)/t10-/m1/s1
InChIKeySRFJLFPOTVRMKY-SNVBAGLBSA-N
XLogP1.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide
CID 1121382
N-(2,5-dimethoxyphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102776855
N-(2,5-dimethoxyphenyl)-5-oxomorpholine-3-carboxamide
CID 110696823
2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 114997065
N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075
(3R)-N-(2,5-dimethoxyphenyl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 100825016
1-(5-methoxy-2-propan-2-yloxyphenyl)-3-[(3S)-2-oxoazepan-3-yl]urea
CID 95614995
N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112520928
cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320591
2-N-(2,5-dimethoxyphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130753
N-(2,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
CID 13368854
2-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139753

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide (CID 807343) is (3R)-N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide is COc1ccc(OC)c(NC(=O)[C@@H]2CCCNC2=O)c1.
What is the InChIKey of (3R)-N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide?
The InChIKey is SRFJLFPOTVRMKY-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-19-9-5-6-12(20-2)11(8-9)16-14(18)10-4-3-7-15-13(10)17/h5-6,8,10H,3-4,7H2,1-2H3,(H,15,17)(H,16,18)/t10-/m1/s1.
What are the key properties of (3R)-N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide?
(3R)-N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 807343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).