(E)-5-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-propyl-2-pyridinyl]pent-4-en-2-one;molecular hydrogen;hydrofluoride

C19H32FN3O — CID 177041185

IUPAC(E)-5-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-propyl-2-pyridinyl]pent-4-en-2-one;molecular hydrogen;hydrofluoride
SMILESCCCc1c(N2C[C@@H](C)N[C@@H](C)C2)ccnc1/C=C/CC(C)=O.F.[H][H]
InChIInChI=1S/C19H29N3O.FH.H2/c1-5-7-17-18(9-6-8-16(4)23)20-11-10-19(17)22-12-14(2)21-15(3)13-22;;/h6,9-11,14-15,21H,5,7-8,12-13H2,1-4H3;2*1H/b9-6+;;/t14-,15+;;
InChIKeyWJURFHIFRLIIKP-HODSVJNPSA-N
MW337.48 g/mol
LogP3.61
Rot. Bonds6

About (E)-5-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-propyl-2-pyridinyl]pent-4-en-2-one;molecular hydrogen;hydrofluoride

(E)-5-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-propyl-2-pyridinyl]pent-4-en-2-one;molecular hydrogen;hydrofluoride (PubChem CID 177041185) has the molecular formula C19H32FN3O and a molecular weight of 337.48 g/mol. Its IUPAC name is (E)-5-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-propyl-2-pyridinyl]pent-4-en-2-one;molecular hydrogen;hydrofluoride.

Molecular Properties

Compound Name(E)-5-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-propyl-2-pyridinyl]pent-4-en-2-one;molecular hydrogen;hydrofluoride
PubChem CID177041185
Molecular FormulaC19H32FN3O
Molecular Weight337.48 g/mol
Exact Mass337.25
IUPAC Name(E)-5-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-propyl-2-pyridinyl]pent-4-en-2-one;molecular hydrogen;hydrofluoride
SMILESCCCc1c(N2C[C@@H](C)N[C@@H](C)C2)ccnc1/C=C/CC(C)=O.F.[H][H]
InChIInChI=1S/C19H29N3O.FH.H2/c1-5-7-17-18(9-6-8-16(4)23)20-11-10-19(17)22-12-14(2)21-15(3)13-22;;/h6,9-11,14-15,21H,5,7-8,12-13H2,1-4H3;2*1H/b9-6+;;/t14-,15+;;
InChIKeyWJURFHIFRLIIKP-HODSVJNPSA-N
XLogP3.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (E)-5-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-propyl-2-pyridinyl]pent-4-en-2-one;molecular hydrogen;hydrofluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-5-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-propyl-2-pyridinyl]pent-4-en-2-one;molecular hydrogen;hydrofluoride?
The IUPAC name of (E)-5-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-propyl-2-pyridinyl]pent-4-en-2-one;molecular hydrogen;hydrofluoride (CID 177041185) is (E)-5-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-propyl-2-pyridinyl]pent-4-en-2-one;molecular hydrogen;hydrofluoride.
What is the SMILES notation for (E)-5-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-propyl-2-pyridinyl]pent-4-en-2-one;molecular hydrogen;hydrofluoride?
The canonical SMILES for (E)-5-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-propyl-2-pyridinyl]pent-4-en-2-one;molecular hydrogen;hydrofluoride is CCCc1c(N2C[C@@H](C)N[C@@H](C)C2)ccnc1/C=C/CC(C)=O.F.[H][H].
What is the InChIKey of (E)-5-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-propyl-2-pyridinyl]pent-4-en-2-one;molecular hydrogen;hydrofluoride?
The InChIKey is WJURFHIFRLIIKP-HODSVJNPSA-N. The full InChI is InChI=1S/C19H29N3O.FH.H2/c1-5-7-17-18(9-6-8-16(4)23)20-11-10-19(17)22-12-14(2)21-15(3)13-22;;/h6,9-11,14-15,21H,5,7-8,12-13H2,1-4H3;2*1H/b9-6+;;/t14-,15+;;.
What are the key properties of (E)-5-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-propyl-2-pyridinyl]pent-4-en-2-one;molecular hydrogen;hydrofluoride?
(E)-5-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-propyl-2-pyridinyl]pent-4-en-2-one;molecular hydrogen;hydrofluoride has a molecular weight of 337.48 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-propyl-2-pyridinyl]pent-4-en-2-one;molecular hydrogen;hydrofluoride is sourced from PubChem (CID 177041185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).