(7R)-7-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione

C15H19N5O4 — CID 136868804

IUPAC(7R)-7-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione
SMILESO=C1CC[C@H](C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)NC(=O)N1
InChIInChI=1S/C15H19N5O4/c21-12-2-1-10(18-15(24)19-12)14(23)20-5-3-9(4-6-20)11-7-13(22)17-8-16-11/h7-10H,1-6H2,(H,16,17,22)(H2,18,19,21,24)/t10-/m1/s1
InChIKeyVMYXFPJOSQLXHG-SNVBAGLBSA-N
MW333.35 g/mol
LogP-0.54
Rot. Bonds2

About (7R)-7-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione

(7R)-7-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione (PubChem CID 136868804) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is (7R)-7-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione.

Molecular Properties

Compound Name(7R)-7-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione
PubChem CID136868804
Molecular FormulaC15H19N5O4
Molecular Weight333.35 g/mol
Exact Mass333.14
IUPAC Name(7R)-7-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione
SMILESO=C1CC[C@H](C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)NC(=O)N1
InChIInChI=1S/C15H19N5O4/c21-12-2-1-10(18-15(24)19-12)14(23)20-5-3-9(4-6-20)11-7-13(22)17-8-16-11/h7-10H,1-6H2,(H,16,17,22)(H2,18,19,21,24)/t10-/m1/s1
InChIKeyVMYXFPJOSQLXHG-SNVBAGLBSA-N
XLogP-0.54
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione?
The IUPAC name of (7R)-7-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione (CID 136868804) is (7R)-7-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione.
What is the SMILES notation for (7R)-7-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione?
The canonical SMILES for (7R)-7-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione is O=C1CC[C@H](C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)NC(=O)N1.
What is the InChIKey of (7R)-7-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione?
The InChIKey is VMYXFPJOSQLXHG-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19N5O4/c21-12-2-1-10(18-15(24)19-12)14(23)20-5-3-9(4-6-20)11-7-13(22)17-8-16-11/h7-10H,1-6H2,(H,16,17,22)(H2,18,19,21,24)/t10-/m1/s1.
What are the key properties of (7R)-7-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione?
(7R)-7-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione has a molecular weight of 333.35 g/mol, XLogP of -0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione is sourced from PubChem (CID 136868804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).