(7R)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-diazepane-2,4-dione

C14H18N6O3 — CID 99934357

IUPAC(7R)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-diazepane-2,4-dione
SMILESO=C1CC[C@H](C(=O)N2CCN(c3ncccn3)CC2)NC(=O)N1
InChIInChI=1S/C14H18N6O3/c21-11-3-2-10(17-14(23)18-11)12(22)19-6-8-20(9-7-19)13-15-4-1-5-16-13/h1,4-5,10H,2-3,6-9H2,(H2,17,18,21,23)/t10-/m1/s1
InChIKeyZHXMHTBRNJBPQH-SNVBAGLBSA-N
MW318.34 g/mol
LogP-0.89
Rot. Bonds2

About (7R)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-diazepane-2,4-dione

(7R)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-diazepane-2,4-dione (PubChem CID 99934357) has the molecular formula C14H18N6O3 and a molecular weight of 318.34 g/mol. Its IUPAC name is (7R)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-diazepane-2,4-dione.

Molecular Properties

Compound Name(7R)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-diazepane-2,4-dione
PubChem CID99934357
Molecular FormulaC14H18N6O3
Molecular Weight318.34 g/mol
Exact Mass318.14
IUPAC Name(7R)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-diazepane-2,4-dione
SMILESO=C1CC[C@H](C(=O)N2CCN(c3ncccn3)CC2)NC(=O)N1
InChIInChI=1S/C14H18N6O3/c21-11-3-2-10(17-14(23)18-11)12(22)19-6-8-20(9-7-19)13-15-4-1-5-16-13/h1,4-5,10H,2-3,6-9H2,(H2,17,18,21,23)/t10-/m1/s1
InChIKeyZHXMHTBRNJBPQH-SNVBAGLBSA-N
XLogP-0.89
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (7R)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-diazepane-2,4-dione 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

5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one
CID 110696756
5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiomorpholin-3-one
CID 110695493
(7S)-7-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione
CID 126430247
piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119827947
6-(piperazine-1-carbonyl)-1,3-diazinane-2,4-dione
CID 74313460
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
(5R)-5-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 84589800
(5-propan-2-ylpyrazolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 52991131
(4R)-2,7-dioxo-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-diazepane-4-carboxamide
CID 125155070
(7S)-7-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione
CID 125173787
(5S)-5-[2-oxo-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]imidazolidine-2,4-dione
CID 99929142
5-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 121064999

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-diazepane-2,4-dione?
The IUPAC name of (7R)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-diazepane-2,4-dione (CID 99934357) is (7R)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-diazepane-2,4-dione.
What is the SMILES notation for (7R)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-diazepane-2,4-dione?
The canonical SMILES for (7R)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-diazepane-2,4-dione is O=C1CC[C@H](C(=O)N2CCN(c3ncccn3)CC2)NC(=O)N1.
What is the InChIKey of (7R)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-diazepane-2,4-dione?
The InChIKey is ZHXMHTBRNJBPQH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N6O3/c21-11-3-2-10(17-14(23)18-11)12(22)19-6-8-20(9-7-19)13-15-4-1-5-16-13/h1,4-5,10H,2-3,6-9H2,(H2,17,18,21,23)/t10-/m1/s1.
What are the key properties of (7R)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-diazepane-2,4-dione?
(7R)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-diazepane-2,4-dione has a molecular weight of 318.34 g/mol, XLogP of -0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-diazepane-2,4-dione is sourced from PubChem (CID 99934357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).