N-(1,3-dioxo-2-piperidin-1-ylinden-2-yl)-4-methoxybenzamide

C22H22N2O4 — CID 91678867

IUPACN-(1,3-dioxo-2-piperidin-1-ylinden-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H22N2O4/c1-28-16-11-9-15(10-12-16)21(27)23-22(24-13-5-2-6-14-24)19(25)17-7-3-4-8-18(17)20(22)26/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,23,27)
InChIKeyRFUGOUBMTHNSQD-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.69
Rot. Bonds4

About N-(1,3-dioxo-2-piperidin-1-ylinden-2-yl)-4-methoxybenzamide

N-(1,3-dioxo-2-piperidin-1-ylinden-2-yl)-4-methoxybenzamide (PubChem CID 91678867) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(1,3-dioxo-2-piperidin-1-ylinden-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1,3-dioxo-2-piperidin-1-ylinden-2-yl)-4-methoxybenzamide
PubChem CID91678867
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-(1,3-dioxo-2-piperidin-1-ylinden-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H22N2O4/c1-28-16-11-9-15(10-12-16)21(27)23-22(24-13-5-2-6-14-24)19(25)17-7-3-4-8-18(17)20(22)26/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,23,27)
InChIKeyRFUGOUBMTHNSQD-UHFFFAOYSA-N
XLogP2.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79057208
4-methoxy-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]benzamide
CID 110286844
N-(1-carbamothioylcyclohexyl)-4-methoxybenzamide
CID 61121119
4-methoxy-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 5021960
4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide
CID 833404
N-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide
CID 43910482
N-[1-(aminomethyl)cyclopentyl]-4-methoxybenzamide;hydrochloride
CID 119566284
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
CID 7997539
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
N-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide
CID 39072257
methyl N-(4-methoxybenzoyl)carbamate
CID 10420604
1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
CID 1289713

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxo-2-piperidin-1-ylinden-2-yl)-4-methoxybenzamide?
The IUPAC name of N-(1,3-dioxo-2-piperidin-1-ylinden-2-yl)-4-methoxybenzamide (CID 91678867) is N-(1,3-dioxo-2-piperidin-1-ylinden-2-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(1,3-dioxo-2-piperidin-1-ylinden-2-yl)-4-methoxybenzamide?
The canonical SMILES for N-(1,3-dioxo-2-piperidin-1-ylinden-2-yl)-4-methoxybenzamide is COc1ccc(C(=O)NC2(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-(1,3-dioxo-2-piperidin-1-ylinden-2-yl)-4-methoxybenzamide?
The InChIKey is RFUGOUBMTHNSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-28-16-11-9-15(10-12-16)21(27)23-22(24-13-5-2-6-14-24)19(25)17-7-3-4-8-18(17)20(22)26/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,23,27).
What are the key properties of N-(1,3-dioxo-2-piperidin-1-ylinden-2-yl)-4-methoxybenzamide?
N-(1,3-dioxo-2-piperidin-1-ylinden-2-yl)-4-methoxybenzamide has a molecular weight of 378.43 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxo-2-piperidin-1-ylinden-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 91678867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).