N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-ethyl-4-methyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide

C27H30N4O5 — CID 50781737

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-ethyl-4-methyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESCCn1c(=O)c(N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C27H30N4O5/c1-3-30-26(33)24(18(2)31(27(30)34)21-7-5-4-6-8-21)29-13-11-19(12-14-29)25(32)28-20-9-10-22-23(17-20)36-16-15-35-22/h4-10,17,19H,3,11-16H2,1-2H3,(H,28,32)
InChIKeyANJJVVGJLAALHY-UHFFFAOYSA-N
MW490.56 g/mol
LogP2.95
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-ethyl-4-methyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-ethyl-4-methyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide (PubChem CID 50781737) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-ethyl-4-methyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-ethyl-4-methyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide
PubChem CID50781737
Molecular FormulaC27H30N4O5
Molecular Weight490.56 g/mol
Exact Mass490.22
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-ethyl-4-methyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESCCn1c(=O)c(N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C27H30N4O5/c1-3-30-26(33)24(18(2)31(27(30)34)21-7-5-4-6-8-21)29-13-11-19(12-14-29)25(32)28-20-9-10-22-23(17-20)36-16-15-35-22/h4-10,17,19H,3,11-16H2,1-2H3,(H,28,32)
InChIKeyANJJVVGJLAALHY-UHFFFAOYSA-N
XLogP2.95
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-ethyl-4-methyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 46324206
N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide
CID 730787
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 1072840
1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide
CID 92869473
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070501
1-(benzenesulfonyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-4-carboxamide
CID 42125952
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344159
1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149490
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113008337
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170453
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 1432051
3-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 146134401

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-ethyl-4-methyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-ethyl-4-methyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide (CID 50781737) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-ethyl-4-methyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-ethyl-4-methyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-ethyl-4-methyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide is CCn1c(=O)c(N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c(C)n(-c2ccccc2)c1=O.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-ethyl-4-methyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide?
The InChIKey is ANJJVVGJLAALHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O5/c1-3-30-26(33)24(18(2)31(27(30)34)21-7-5-4-6-8-21)29-13-11-19(12-14-29)25(32)28-20-9-10-22-23(17-20)36-16-15-35-22/h4-10,17,19H,3,11-16H2,1-2H3,(H,28,32).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-ethyl-4-methyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-ethyl-4-methyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-ethyl-4-methyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50781737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).