(3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one

C14H22N4O — CID 99929898

IUPAC(3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one
SMILESCC[C@@H]1C(=O)NCCN1Cc1ccnc(C(C)C)n1
InChIInChI=1S/C14H22N4O/c1-4-12-14(19)16-7-8-18(12)9-11-5-6-15-13(17-11)10(2)3/h5-6,10,12H,4,7-9H2,1-3H3,(H,16,19)/t12-/m1/s1
InChIKeyWJFJYUBWZIOREA-GFCCVEGCSA-N
MW262.36 g/mol
LogP1.31
Rot. Bonds4

About (3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one

(3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one (PubChem CID 99929898) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one
PubChem CID99929898
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one
SMILESCC[C@@H]1C(=O)NCCN1Cc1ccnc(C(C)C)n1
InChIInChI=1S/C14H22N4O/c1-4-12-14(19)16-7-8-18(12)9-11-5-6-15-13(17-11)10(2)3/h5-6,10,12H,4,7-9H2,1-3H3,(H,16,19)/t12-/m1/s1
InChIKeyWJFJYUBWZIOREA-GFCCVEGCSA-N
XLogP1.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-ethylpiperazin-2-one
CID 63888466
(3S)-4-[(6-chloropyridazin-3-yl)methyl]-3-ethylpiperazin-2-one
CID 129395126
(3S)-4-[(8-chloroquinolin-2-yl)methyl]-3-ethylpiperazin-2-one
CID 99935353
6-[(2-ethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909271
4-[[2-(aminomethyl)-3-pyridinyl]methyl]-3-ethylpiperazin-2-one
CID 63602695
methyl 2-[(2R)-3-oxo-1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazin-2-yl]acetate
CID 51872386
methyl 2-[3-oxo-1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazin-2-yl]acetate
CID 46982057
2-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 64783841
2-[(2-ethyl-3-oxopiperazin-1-yl)methyl]furan-3-carboxylic acid
CID 63600974
4-(2-amino-2-methylpropyl)-3-ethylpiperazin-2-one;hydrochloride
CID 131089454
methyl 4-[[(2S)-2-ethyl-3-oxopiperazin-1-yl]methyl]benzoate
CID 124545764
4-[(E)-3-chloroprop-2-enyl]-3-ethylpiperazin-2-one
CID 131234767

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one?
The IUPAC name of (3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one (CID 99929898) is (3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one.
What is the SMILES notation for (3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one?
The canonical SMILES for (3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one is CC[C@@H]1C(=O)NCCN1Cc1ccnc(C(C)C)n1.
What is the InChIKey of (3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one?
The InChIKey is WJFJYUBWZIOREA-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N4O/c1-4-12-14(19)16-7-8-18(12)9-11-5-6-15-13(17-11)10(2)3/h5-6,10,12H,4,7-9H2,1-3H3,(H,16,19)/t12-/m1/s1.
What are the key properties of (3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one?
(3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one has a molecular weight of 262.36 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one is sourced from PubChem (CID 99929898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).