4-[4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-propyl-2,3-dihydropyridin-6-one

C20H35N3O2 — CID 70276049

IUPAC4-[4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-propyl-2,3-dihydropyridin-6-one
SMILESCCCN1CCC(N2CCN(C(O)C3CCCCC3)C(C)C2)=CC1=O
InChIInChI=1S/C20H35N3O2/c1-3-10-21-11-9-18(14-19(21)24)22-12-13-23(16(2)15-22)20(25)17-7-5-4-6-8-17/h14,16-17,20,25H,3-13,15H2,1-2H3
InChIKeyJJXVFBONPZPZRM-UHFFFAOYSA-N
MW349.52 g/mol
LogP2.42
Rot. Bonds5

About 4-[4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-propyl-2,3-dihydropyridin-6-one

4-[4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-propyl-2,3-dihydropyridin-6-one (PubChem CID 70276049) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 4-[4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-propyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name4-[4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-propyl-2,3-dihydropyridin-6-one
PubChem CID70276049
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Name4-[4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-propyl-2,3-dihydropyridin-6-one
SMILESCCCN1CCC(N2CCN(C(O)C3CCCCC3)C(C)C2)=CC1=O
InChIInChI=1S/C20H35N3O2/c1-3-10-21-11-9-18(14-19(21)24)22-12-13-23(16(2)15-22)20(25)17-7-5-4-6-8-17/h14,16-17,20,25H,3-13,15H2,1-2H3
InChIKeyJJXVFBONPZPZRM-UHFFFAOYSA-N
XLogP2.42
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-propyl-2,3-dihydropyridin-6-one?
The IUPAC name of 4-[4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-propyl-2,3-dihydropyridin-6-one (CID 70276049) is 4-[4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-propyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 4-[4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-propyl-2,3-dihydropyridin-6-one?
The canonical SMILES for 4-[4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-propyl-2,3-dihydropyridin-6-one is CCCN1CCC(N2CCN(C(O)C3CCCCC3)C(C)C2)=CC1=O.
What is the InChIKey of 4-[4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-propyl-2,3-dihydropyridin-6-one?
The InChIKey is JJXVFBONPZPZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-3-10-21-11-9-18(14-19(21)24)22-12-13-23(16(2)15-22)20(25)17-7-5-4-6-8-17/h14,16-17,20,25H,3-13,15H2,1-2H3.
What are the key properties of 4-[4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-propyl-2,3-dihydropyridin-6-one?
4-[4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-propyl-2,3-dihydropyridin-6-one has a molecular weight of 349.52 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-propyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 70276049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).