2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one

C18H26N2O2 — CID 92601740

IUPAC2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)cc([C@@H]2CCCN(C(=O)CC3CCCC3)C2)[nH]1
InChIInChI=1S/C18H26N2O2/c1-13-9-16(21)11-17(19-13)15-7-4-8-20(12-15)18(22)10-14-5-2-3-6-14/h9,11,14-15H,2-8,10,12H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyGYOUIIQDQQSLDD-OAHLLOKOSA-N
MW302.42 g/mol
LogP2.97
Rot. Bonds3

About 2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one

2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one (PubChem CID 92601740) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one
PubChem CID92601740
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)cc([C@@H]2CCCN(C(=O)CC3CCCC3)C2)[nH]1
InChIInChI=1S/C18H26N2O2/c1-13-9-16(21)11-17(19-13)15-7-4-8-20(12-15)18(22)10-14-5-2-3-6-14/h9,11,14-15H,2-8,10,12H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyGYOUIIQDQQSLDD-OAHLLOKOSA-N
XLogP2.97
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one?
The IUPAC name of 2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one (CID 92601740) is 2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one is Cc1cc(=O)cc([C@@H]2CCCN(C(=O)CC3CCCC3)C2)[nH]1.
What is the InChIKey of 2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one?
The InChIKey is GYOUIIQDQQSLDD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-9-16(21)11-17(19-13)15-7-4-8-20(12-15)18(22)10-14-5-2-3-6-14/h9,11,14-15H,2-8,10,12H2,1H3,(H,19,21)/t15-/m1/s1.
What are the key properties of 2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one?
2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one has a molecular weight of 302.42 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one is sourced from PubChem (CID 92601740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).