(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-one

C19H26N4O — CID 97151555

IUPAC(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-one
SMILESCC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2cnn3cccnc23)C1
InChIInChI=1S/C19H26N4O/c1-15(2)6-4-8-19(3)9-7-17(24)22(14-19)13-16-12-21-23-11-5-10-20-18(16)23/h5-6,10-12H,4,7-9,13-14H2,1-3H3/t19-/m0/s1
InChIKeyPSJAEJUXKBCHJS-IBGZPJMESA-N
MW326.44 g/mol
LogP3.60
Rot. Bonds5

About (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-one

(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-one (PubChem CID 97151555) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-one
PubChem CID97151555
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-one
SMILESCC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2cnn3cccnc23)C1
InChIInChI=1S/C19H26N4O/c1-15(2)6-4-8-19(3)9-7-17(24)22(14-19)13-16-12-21-23-11-5-10-20-18(16)23/h5-6,10-12H,4,7-9,13-14H2,1-3H3/t19-/m0/s1
InChIKeyPSJAEJUXKBCHJS-IBGZPJMESA-N
XLogP3.60
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
CID 72880131
(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyridin-2-ylmethyl)piperidin-2-one
CID 97145923
5-methyl-1-[(1-methylimidazol-2-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one
CID 72847770
5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one
CID 72842408
(5R)-1-[(3-ethylimidazol-4-yl)methyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
CID 97143124
(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-one
CID 97128405
1-(2-imidazol-1-ylethyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
CID 72909890
(5R)-1-(3-imidazol-1-ylpropyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
CID 97152133
1-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
CID 72865969
N,N-dimethyl-3-[[5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]methyl]benzamide
CID 72908778
(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]piperidin-2-one
CID 97139352
2-pyrazolo[1,5-a]pyrimidin-3-ylacetaldehyde
CID 83872984

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-one?
The IUPAC name of (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-one (CID 97151555) is (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-one.
What is the SMILES notation for (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-one?
The canonical SMILES for (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-one is CC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2cnn3cccnc23)C1.
What is the InChIKey of (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-one?
The InChIKey is PSJAEJUXKBCHJS-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26N4O/c1-15(2)6-4-8-19(3)9-7-17(24)22(14-19)13-16-12-21-23-11-5-10-20-18(16)23/h5-6,10-12H,4,7-9,13-14H2,1-3H3/t19-/m0/s1.
What are the key properties of (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-one?
(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-one has a molecular weight of 326.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-one is sourced from PubChem (CID 97151555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).