1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone

C20H34N4O2 — CID 72849022

IUPAC1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone
SMILESCCCN1CCC(CC(=O)N2CCC(C(O)c3nccn3C)CC2)CC1
InChIInChI=1S/C20H34N4O2/c1-3-9-23-10-4-16(5-11-23)15-18(25)24-12-6-17(7-13-24)19(26)20-21-8-14-22(20)2/h8,14,16-17,19,26H,3-7,9-13,15H2,1-2H3
InChIKeyLJEMFGNDHPZZSZ-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.20
Rot. Bonds6

About 1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone

1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone (PubChem CID 72849022) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone
PubChem CID72849022
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone
SMILESCCCN1CCC(CC(=O)N2CCC(C(O)c3nccn3C)CC2)CC1
InChIInChI=1S/C20H34N4O2/c1-3-9-23-10-4-16(5-11-23)15-18(25)24-12-6-17(7-13-24)19(26)20-21-8-14-22(20)2/h8,14,16-17,19,26H,3-7,9-13,15H2,1-2H3
InChIKeyLJEMFGNDHPZZSZ-UHFFFAOYSA-N
XLogP2.20
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone?
The IUPAC name of 1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone (CID 72849022) is 1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone is CCCN1CCC(CC(=O)N2CCC(C(O)c3nccn3C)CC2)CC1.
What is the InChIKey of 1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone?
The InChIKey is LJEMFGNDHPZZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-3-9-23-10-4-16(5-11-23)15-18(25)24-12-6-17(7-13-24)19(26)20-21-8-14-22(20)2/h8,14,16-17,19,26H,3-7,9-13,15H2,1-2H3.
What are the key properties of 1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone?
1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone has a molecular weight of 362.52 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone is sourced from PubChem (CID 72849022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).