N-[(3R)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]-3-methylbut-2-enamide

C17H22N2O3 — CID 97089950

IUPACN-[(3R)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]-3-methylbut-2-enamide
SMILESCOc1ccccc1N1CCC[C@@H](NC(=O)C=C(C)C)C1=O
InChIInChI=1S/C17H22N2O3/c1-12(2)11-16(20)18-13-7-6-10-19(17(13)21)14-8-4-5-9-15(14)22-3/h4-5,8-9,11,13H,6-7,10H2,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyWQORUFIGSDMWMT-CYBMUJFWSA-N
MW302.37 g/mol
LogP2.27
Rot. Bonds4

About N-[(3R)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]-3-methylbut-2-enamide

N-[(3R)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]-3-methylbut-2-enamide (PubChem CID 97089950) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[(3R)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[(3R)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]-3-methylbut-2-enamide
PubChem CID97089950
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[(3R)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]-3-methylbut-2-enamide
SMILESCOc1ccccc1N1CCC[C@@H](NC(=O)C=C(C)C)C1=O
InChIInChI=1S/C17H22N2O3/c1-12(2)11-16(20)18-13-7-6-10-19(17(13)21)14-8-4-5-9-15(14)22-3/h4-5,8-9,11,13H,6-7,10H2,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyWQORUFIGSDMWMT-CYBMUJFWSA-N
XLogP2.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide
CID 166406168
2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 99697494
3-(2-methoxyphenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide
CID 72689582
1-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropane-1-carboxamide;hydrochloride
CID 119813995
3-methyl-N-[2-oxo-1-[(E)-2-phenylethenyl]piperidin-3-yl]but-2-enamide
CID 138989894
(3R)-1-(2-methoxyphenyl)-3-[[(3R)-thiolan-3-yl]amino]piperidin-2-one
CID 97322605
(3S)-1-(2-methoxyphenyl)-3-propanoylpiperidin-2-one
CID 125450904
4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 120563800
3-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid
CID 122006219
3-[3-(hydroxymethyl)anilino]-1-(2-methoxyphenyl)piperidin-2-one
CID 75372113
4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide;hydrochloride
CID 120563799
1-(ethylcarbamoylamino)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 167893221

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]-3-methylbut-2-enamide?
The IUPAC name of N-[(3R)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]-3-methylbut-2-enamide (CID 97089950) is N-[(3R)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[(3R)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]-3-methylbut-2-enamide?
The canonical SMILES for N-[(3R)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]-3-methylbut-2-enamide is COc1ccccc1N1CCC[C@@H](NC(=O)C=C(C)C)C1=O.
What is the InChIKey of N-[(3R)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]-3-methylbut-2-enamide?
The InChIKey is WQORUFIGSDMWMT-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12(2)11-16(20)18-13-7-6-10-19(17(13)21)14-8-4-5-9-15(14)22-3/h4-5,8-9,11,13H,6-7,10H2,1-3H3,(H,18,20)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]-3-methylbut-2-enamide?
N-[(3R)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]-3-methylbut-2-enamide has a molecular weight of 302.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]-3-methylbut-2-enamide is sourced from PubChem (CID 97089950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).