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

C19H32N4O2 — CID 72881062

IUPAC[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
SMILESCC(C)N1CCC(C(=O)N2CCC(C(O)c3nccn3C)CC2)CC1
InChIInChI=1S/C19H32N4O2/c1-14(2)22-9-6-16(7-10-22)19(25)23-11-4-15(5-12-23)17(24)18-20-8-13-21(18)3/h8,13-17,24H,4-7,9-12H2,1-3H3
InChIKeyYYUAONNENAKVAR-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.81
Rot. Bonds4

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

[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone (PubChem CID 72881062) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
PubChem CID72881062
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
SMILESCC(C)N1CCC(C(=O)N2CCC(C(O)c3nccn3C)CC2)CC1
InChIInChI=1S/C19H32N4O2/c1-14(2)22-9-6-16(7-10-22)19(25)23-11-4-15(5-12-23)17(24)18-20-8-13-21(18)3/h8,13-17,24H,4-7,9-12H2,1-3H3
InChIKeyYYUAONNENAKVAR-UHFFFAOYSA-N
XLogP1.81
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
The IUPAC name of [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone (CID 72881062) is [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
The canonical SMILES for [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone is CC(C)N1CCC(C(=O)N2CCC(C(O)c3nccn3C)CC2)CC1.
What is the InChIKey of [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
The InChIKey is YYUAONNENAKVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-14(2)22-9-6-16(7-10-22)19(25)23-11-4-15(5-12-23)17(24)18-20-8-13-21(18)3/h8,13-17,24H,4-7,9-12H2,1-3H3.
What are the key properties of [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone has a molecular weight of 348.49 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 72881062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).