(3R)-4-(2-cyclopropylpyrimidine-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one

C16H22N4O2 — CID 125144591

IUPAC(3R)-4-(2-cyclopropylpyrimidine-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one
SMILESCC(C)C[C@@H]1C(=O)NCCN1C(=O)c1cnc(C2CC2)nc1
InChIInChI=1S/C16H22N4O2/c1-10(2)7-13-15(21)17-5-6-20(13)16(22)12-8-18-14(19-9-12)11-3-4-11/h8-11,13H,3-7H2,1-2H3,(H,17,21)/t13-/m1/s1
InChIKeyXFIHJBSRJNXFIQ-CYBMUJFWSA-N
MW302.38 g/mol
LogP1.34
Rot. Bonds4

About (3R)-4-(2-cyclopropylpyrimidine-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one

(3R)-4-(2-cyclopropylpyrimidine-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one (PubChem CID 125144591) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (3R)-4-(2-cyclopropylpyrimidine-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-(2-cyclopropylpyrimidine-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one
PubChem CID125144591
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(3R)-4-(2-cyclopropylpyrimidine-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one
SMILESCC(C)C[C@@H]1C(=O)NCCN1C(=O)c1cnc(C2CC2)nc1
InChIInChI=1S/C16H22N4O2/c1-10(2)7-13-15(21)17-5-6-20(13)16(22)12-8-18-14(19-9-12)11-3-4-11/h8-11,13H,3-7H2,1-2H3,(H,17,21)/t13-/m1/s1
InChIKeyXFIHJBSRJNXFIQ-CYBMUJFWSA-N
XLogP1.34
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 131960398
4-(2-tert-butyl-1,3-thiazole-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 138997378
4-(4-hydroxyisoquinoline-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 167868714
4-(5-tert-butyl-1,2-oxazole-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 146124789
4-(2,2-difluorocyclopropanecarbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 122151737
4-(3,4-dichloro-2-hydroxybenzoyl)-3-(2-methylpropyl)piperazin-2-one
CID 136534377
(3S)-4-(1-methylimidazole-4-carbonyl)-3-(2-methylpropyl)-1,4-diazepan-2-one
CID 164635145
4-[6-(benzimidazol-1-yl)pyridine-3-carbonyl]-3-(2-methylpropyl)-1,4-diazepan-2-one
CID 155947482
methyl 4-[2-[(2S)-2-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]benzoate
CID 125144565
3-ethyl-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one
CID 63602774
4-[2-(3,6-dihydro-2H-pyran-4-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one
CID 122153522
4-[2-(4-acetyltriazol-1-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one
CID 122151740

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(2-cyclopropylpyrimidine-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one?
The IUPAC name of (3R)-4-(2-cyclopropylpyrimidine-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one (CID 125144591) is (3R)-4-(2-cyclopropylpyrimidine-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for (3R)-4-(2-cyclopropylpyrimidine-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for (3R)-4-(2-cyclopropylpyrimidine-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one is CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1cnc(C2CC2)nc1.
What is the InChIKey of (3R)-4-(2-cyclopropylpyrimidine-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one?
The InChIKey is XFIHJBSRJNXFIQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10(2)7-13-15(21)17-5-6-20(13)16(22)12-8-18-14(19-9-12)11-3-4-11/h8-11,13H,3-7H2,1-2H3,(H,17,21)/t13-/m1/s1.
What are the key properties of (3R)-4-(2-cyclopropylpyrimidine-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one?
(3R)-4-(2-cyclopropylpyrimidine-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one has a molecular weight of 302.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(2-cyclopropylpyrimidine-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 125144591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).