(6S)-1,6-dimethyl-4-[2-(1-methylpyrazol-3-yl)acetyl]piperazin-2-one

C12H18N4O2 — CID 100740847

IUPAC(6S)-1,6-dimethyl-4-[2-(1-methylpyrazol-3-yl)acetyl]piperazin-2-one
SMILESC[C@H]1CN(C(=O)Cc2ccn(C)n2)CC(=O)N1C
InChIInChI=1S/C12H18N4O2/c1-9-7-16(8-12(18)15(9)3)11(17)6-10-4-5-14(2)13-10/h4-5,9H,6-8H2,1-3H3/t9-/m0/s1
InChIKeyJRWSNQZQRIUYRA-VIFPVBQESA-N
MW250.30 g/mol
LogP-0.35
Rot. Bonds2

About (6S)-1,6-dimethyl-4-[2-(1-methylpyrazol-3-yl)acetyl]piperazin-2-one

(6S)-1,6-dimethyl-4-[2-(1-methylpyrazol-3-yl)acetyl]piperazin-2-one (PubChem CID 100740847) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (6S)-1,6-dimethyl-4-[2-(1-methylpyrazol-3-yl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name(6S)-1,6-dimethyl-4-[2-(1-methylpyrazol-3-yl)acetyl]piperazin-2-one
PubChem CID100740847
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(6S)-1,6-dimethyl-4-[2-(1-methylpyrazol-3-yl)acetyl]piperazin-2-one
SMILESC[C@H]1CN(C(=O)Cc2ccn(C)n2)CC(=O)N1C
InChIInChI=1S/C12H18N4O2/c1-9-7-16(8-12(18)15(9)3)11(17)6-10-4-5-14(2)13-10/h4-5,9H,6-8H2,1-3H3/t9-/m0/s1
InChIKeyJRWSNQZQRIUYRA-VIFPVBQESA-N
XLogP-0.35
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-1,6-dimethyl-4-[2-(1-methylpyrazol-3-yl)acetyl]piperazin-2-one?
The IUPAC name of (6S)-1,6-dimethyl-4-[2-(1-methylpyrazol-3-yl)acetyl]piperazin-2-one (CID 100740847) is (6S)-1,6-dimethyl-4-[2-(1-methylpyrazol-3-yl)acetyl]piperazin-2-one.
What is the SMILES notation for (6S)-1,6-dimethyl-4-[2-(1-methylpyrazol-3-yl)acetyl]piperazin-2-one?
The canonical SMILES for (6S)-1,6-dimethyl-4-[2-(1-methylpyrazol-3-yl)acetyl]piperazin-2-one is C[C@H]1CN(C(=O)Cc2ccn(C)n2)CC(=O)N1C.
What is the InChIKey of (6S)-1,6-dimethyl-4-[2-(1-methylpyrazol-3-yl)acetyl]piperazin-2-one?
The InChIKey is JRWSNQZQRIUYRA-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9-7-16(8-12(18)15(9)3)11(17)6-10-4-5-14(2)13-10/h4-5,9H,6-8H2,1-3H3/t9-/m0/s1.
What are the key properties of (6S)-1,6-dimethyl-4-[2-(1-methylpyrazol-3-yl)acetyl]piperazin-2-one?
(6S)-1,6-dimethyl-4-[2-(1-methylpyrazol-3-yl)acetyl]piperazin-2-one has a molecular weight of 250.30 g/mol, XLogP of -0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1,6-dimethyl-4-[2-(1-methylpyrazol-3-yl)acetyl]piperazin-2-one is sourced from PubChem (CID 100740847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).