2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione

C14H19N5O3 — CID 135697215

IUPAC2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione
SMILESO=C1NCCNc2c1nc(CC(=O)N1CCCCC1)[nH]c2=O
InChIInChI=1S/C14H19N5O3/c20-10(19-6-2-1-3-7-19)8-9-17-12-11(14(22)18-9)15-4-5-16-13(12)21/h15H,1-8H2,(H,16,21)(H,17,18,22)
InChIKeyYWNXBVZDBCLWHX-UHFFFAOYSA-N
MW305.34 g/mol
LogP-0.52
Rot. Bonds2

About 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione

2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione (PubChem CID 135697215) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione.

Molecular Properties

Compound Name2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione
PubChem CID135697215
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione
SMILESO=C1NCCNc2c1nc(CC(=O)N1CCCCC1)[nH]c2=O
InChIInChI=1S/C14H19N5O3/c20-10(19-6-2-1-3-7-19)8-9-17-12-11(14(22)18-9)15-4-5-16-13(12)21/h15H,1-8H2,(H,16,21)(H,17,18,22)
InChIKeyYWNXBVZDBCLWHX-UHFFFAOYSA-N
XLogP-0.52
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methylamino)-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide
CID 68640947
2-(2-morpholin-4-yl-2-oxoethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione
CID 135697216
2-cyclopropyl-4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 135996275
4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 135996276
2-cyclopropyl-4-methyl-5-(3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 136108725
4-methyl-5-(3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136108726
4,5-dimethyl-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 136171501
4-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)piperazine-2,6-dione
CID 136246570
2-ethyl-4-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 136311264
2,4-dimethyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 136314620
N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 136665370
(2R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 136737316

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione?
The IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione (CID 135697215) is 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione.
What is the SMILES notation for 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione?
The canonical SMILES for 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione is O=C1NCCNc2c1nc(CC(=O)N1CCCCC1)[nH]c2=O.
What is the InChIKey of 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione?
The InChIKey is YWNXBVZDBCLWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c20-10(19-6-2-1-3-7-19)8-9-17-12-11(14(22)18-9)15-4-5-16-13(12)21/h15H,1-8H2,(H,16,21)(H,17,18,22).
What are the key properties of 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione?
2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione has a molecular weight of 305.34 g/mol, XLogP of -0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione is sourced from PubChem (CID 135697215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).