N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C19H22N4O3 — CID 122353117

IUPACN-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NCc1ccnc(N2CCCCC2)n1)C1COc2ccccc2O1
InChIInChI=1S/C19H22N4O3/c24-18(17-13-25-15-6-2-3-7-16(15)26-17)21-12-14-8-9-20-19(22-14)23-10-4-1-5-11-23/h2-3,6-9,17H,1,4-5,10-13H2,(H,21,24)
InChIKeyBLWOVGWKERBBJZ-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.92
Rot. Bonds4

About N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 122353117) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID122353117
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NCc1ccnc(N2CCCCC2)n1)C1COc2ccccc2O1
InChIInChI=1S/C19H22N4O3/c24-18(17-13-25-15-6-2-3-7-16(15)26-17)21-12-14-8-9-20-19(22-14)23-10-4-1-5-11-23/h2-3,6-9,17H,1,4-5,10-13H2,(H,21,24)
InChIKeyBLWOVGWKERBBJZ-UHFFFAOYSA-N
XLogP1.92
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide 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

(3S)-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94197913
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 71842552
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 122318228
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 122327576
(3S)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1092700
N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 108749292
2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 72718326
(3R)-N-[3-(azepan-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41368308
2-[(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 126777085
1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122353062
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]adamantane-1-carboxamide
CID 122353091
N-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2867490

Frequently Asked Questions

What is the IUPAC name of N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 122353117) is N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(NCc1ccnc(N2CCCCC2)n1)C1COc2ccccc2O1.
What is the InChIKey of N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is BLWOVGWKERBBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-18(17-13-25-15-6-2-3-7-16(15)26-17)21-12-14-8-9-20-19(22-14)23-10-4-1-5-11-23/h2-3,6-9,17H,1,4-5,10-13H2,(H,21,24).
What are the key properties of N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 122353117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).