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

C20H34N4O2 — CID 72890404

IUPAC1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
SMILESCC(C)N1CCC(CC(=O)N2CCC(C(O)c3nccn3C)CC2)CC1
InChIInChI=1S/C20H34N4O2/c1-15(2)23-9-4-16(5-10-23)14-18(25)24-11-6-17(7-12-24)19(26)20-21-8-13-22(20)3/h8,13,15-17,19,26H,4-7,9-12,14H2,1-3H3
InChIKeyGZPMMQPAMNOVQH-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.20
Rot. Bonds5

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

1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone (PubChem CID 72890404) 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-propan-2-ylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
PubChem CID72890404
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
SMILESCC(C)N1CCC(CC(=O)N2CCC(C(O)c3nccn3C)CC2)CC1
InChIInChI=1S/C20H34N4O2/c1-15(2)23-9-4-16(5-10-23)14-18(25)24-11-6-17(7-12-24)19(26)20-21-8-13-22(20)3/h8,13,15-17,19,26H,4-7,9-12,14H2,1-3H3
InChIKeyGZPMMQPAMNOVQH-UHFFFAOYSA-N
XLogP2.20
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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-propan-2-ylpiperidin-4-yl)ethanone?
The IUPAC name of 1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone (CID 72890404) is 1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone is CC(C)N1CCC(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-propan-2-ylpiperidin-4-yl)ethanone?
The InChIKey is GZPMMQPAMNOVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-15(2)23-9-4-16(5-10-23)14-18(25)24-11-6-17(7-12-24)19(26)20-21-8-13-22(20)3/h8,13,15-17,19,26H,4-7,9-12,14H2,1-3H3.
What are the key properties of 1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone?
1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone has a molecular weight of 362.52 g/mol, XLogP of 2.20, 5 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-propan-2-ylpiperidin-4-yl)ethanone is sourced from PubChem (CID 72890404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).