(6S)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperazin-2-one

C14H24N4O — CID 164632548

IUPAC(6S)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperazin-2-one
SMILESCCc1nn(C)c(CC)c1CN1CC(=O)N[C@@H](C)C1
InChIInChI=1S/C14H24N4O/c1-5-12-11(13(6-2)17(4)16-12)8-18-7-10(3)15-14(19)9-18/h10H,5-9H2,1-4H3,(H,15,19)/t10-/m0/s1
InChIKeyVDXWCNUXJOLBKV-JTQLQIEISA-N
MW264.37 g/mol
LogP0.87
Rot. Bonds4

About (6S)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperazin-2-one

(6S)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperazin-2-one (PubChem CID 164632548) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is (6S)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperazin-2-one.

Molecular Properties

Compound Name(6S)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperazin-2-one
PubChem CID164632548
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name(6S)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperazin-2-one
SMILESCCc1nn(C)c(CC)c1CN1CC(=O)N[C@@H](C)C1
InChIInChI=1S/C14H24N4O/c1-5-12-11(13(6-2)17(4)16-12)8-18-7-10(3)15-14(19)9-18/h10H,5-9H2,1-4H3,(H,15,19)/t10-/m0/s1
InChIKeyVDXWCNUXJOLBKV-JTQLQIEISA-N
XLogP0.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309687
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1-isobutyl-3-oxo-2-piperazinyl)acetamide
CID 16190571
N-isobutyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 798599
N-propyl-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamide
CID 3136371
N-butan-2-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
CID 3136372
N-Isopropyl-2-(3-trifluoromethyl-5,6-dihydro-4H-cyclopentapyrazol-1-yl)-acetamide
CID 1129760
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309382
N-cyclohexyl-2-(3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl)acetamide
CID 647534
N-Cyclopentyl-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetamide
CID 650832
N-sec-Butyl-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetamide
CID 3136365
N-cyclopentyl-2-(3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl)acetamide
CID 798523
N-propyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 2056737

Frequently Asked Questions

What is the IUPAC name of (6S)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperazin-2-one?
The IUPAC name of (6S)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperazin-2-one (CID 164632548) is (6S)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperazin-2-one.
What is the SMILES notation for (6S)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperazin-2-one?
The canonical SMILES for (6S)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperazin-2-one is CCc1nn(C)c(CC)c1CN1CC(=O)N[C@@H](C)C1.
What is the InChIKey of (6S)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperazin-2-one?
The InChIKey is VDXWCNUXJOLBKV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H24N4O/c1-5-12-11(13(6-2)17(4)16-12)8-18-7-10(3)15-14(19)9-18/h10H,5-9H2,1-4H3,(H,15,19)/t10-/m0/s1.
What are the key properties of (6S)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperazin-2-one?
(6S)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperazin-2-one has a molecular weight of 264.37 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperazin-2-one is sourced from PubChem (CID 164632548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).