N-(1-cyclopentylpiperidin-4-yl)-6-methyl-4-oxopyran-2-carboxamide

C17H24N2O3 — CID 91769852

IUPACN-(1-cyclopentylpiperidin-4-yl)-6-methyl-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC2CCN(C3CCCC3)CC2)o1
InChIInChI=1S/C17H24N2O3/c1-12-10-15(20)11-16(22-12)17(21)18-13-6-8-19(9-7-13)14-4-2-3-5-14/h10-11,13-14H,2-9H2,1H3,(H,18,21)
InChIKeyDRHLSMPASBVDKR-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.09
Rot. Bonds3

About N-(1-cyclopentylpiperidin-4-yl)-6-methyl-4-oxopyran-2-carboxamide

N-(1-cyclopentylpiperidin-4-yl)-6-methyl-4-oxopyran-2-carboxamide (PubChem CID 91769852) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(1-cyclopentylpiperidin-4-yl)-6-methyl-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopentylpiperidin-4-yl)-6-methyl-4-oxopyran-2-carboxamide
PubChem CID91769852
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(1-cyclopentylpiperidin-4-yl)-6-methyl-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC2CCN(C3CCCC3)CC2)o1
InChIInChI=1S/C17H24N2O3/c1-12-10-15(20)11-16(22-12)17(21)18-13-6-8-19(9-7-13)14-4-2-3-5-14/h10-11,13-14H,2-9H2,1H3,(H,18,21)
InChIKeyDRHLSMPASBVDKR-UHFFFAOYSA-N
XLogP2.09
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylpiperidin-4-yl)-6-methyl-4-oxopyran-2-carboxamide?
The IUPAC name of N-(1-cyclopentylpiperidin-4-yl)-6-methyl-4-oxopyran-2-carboxamide (CID 91769852) is N-(1-cyclopentylpiperidin-4-yl)-6-methyl-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-(1-cyclopentylpiperidin-4-yl)-6-methyl-4-oxopyran-2-carboxamide?
The canonical SMILES for N-(1-cyclopentylpiperidin-4-yl)-6-methyl-4-oxopyran-2-carboxamide is Cc1cc(=O)cc(C(=O)NC2CCN(C3CCCC3)CC2)o1.
What is the InChIKey of N-(1-cyclopentylpiperidin-4-yl)-6-methyl-4-oxopyran-2-carboxamide?
The InChIKey is DRHLSMPASBVDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12-10-15(20)11-16(22-12)17(21)18-13-6-8-19(9-7-13)14-4-2-3-5-14/h10-11,13-14H,2-9H2,1H3,(H,18,21).
What are the key properties of N-(1-cyclopentylpiperidin-4-yl)-6-methyl-4-oxopyran-2-carboxamide?
N-(1-cyclopentylpiperidin-4-yl)-6-methyl-4-oxopyran-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylpiperidin-4-yl)-6-methyl-4-oxopyran-2-carboxamide is sourced from PubChem (CID 91769852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).