3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

C19H30N2O3 — CID 70769210

IUPAC3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)CC(O)C1CCN(C(=O)c2ccc(C(C)C)[nH]c2=O)CC1
InChIInChI=1S/C19H30N2O3/c1-12(2)11-17(22)14-7-9-21(10-8-14)19(24)15-5-6-16(13(3)4)20-18(15)23/h5-6,12-14,17,22H,7-11H2,1-4H3,(H,20,23)
InChIKeyNYZOWDLFNOKJTJ-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.76
Rot. Bonds5

About 3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 70769210) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
PubChem CID70769210
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)CC(O)C1CCN(C(=O)c2ccc(C(C)C)[nH]c2=O)CC1
InChIInChI=1S/C19H30N2O3/c1-12(2)11-17(22)14-7-9-21(10-8-14)19(24)15-5-6-16(13(3)4)20-18(15)23/h5-6,12-14,17,22H,7-11H2,1-4H3,(H,20,23)
InChIKeyNYZOWDLFNOKJTJ-UHFFFAOYSA-N
XLogP2.76
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (CID 70769210) is 3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is CC(C)CC(O)C1CCN(C(=O)c2ccc(C(C)C)[nH]c2=O)CC1.
What is the InChIKey of 3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is NYZOWDLFNOKJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-12(2)11-17(22)14-7-9-21(10-8-14)19(24)15-5-6-16(13(3)4)20-18(15)23/h5-6,12-14,17,22H,7-11H2,1-4H3,(H,20,23).
What are the key properties of 3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 334.46 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 70769210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).