N-[(3R)-1-cyclohexylpiperidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide

C18H26N2O3 — CID 125156435

IUPACN-[(3R)-1-cyclohexylpiperidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)N[C@@H]2CCCN(C3CCCCC3)C2)o1
InChIInChI=1S/C18H26N2O3/c1-13-10-16(21)11-17(23-13)18(22)19-14-6-5-9-20(12-14)15-7-3-2-4-8-15/h10-11,14-15H,2-9,12H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyKNHKFAXISPTYHL-CQSZACIVSA-N
MW318.42 g/mol
LogP2.48
Rot. Bonds3

About N-[(3R)-1-cyclohexylpiperidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide

N-[(3R)-1-cyclohexylpiperidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide (PubChem CID 125156435) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(3R)-1-cyclohexylpiperidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyclohexylpiperidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide
PubChem CID125156435
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[(3R)-1-cyclohexylpiperidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)N[C@@H]2CCCN(C3CCCCC3)C2)o1
InChIInChI=1S/C18H26N2O3/c1-13-10-16(21)11-17(23-13)18(22)19-14-6-5-9-20(12-14)15-7-3-2-4-8-15/h10-11,14-15H,2-9,12H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyKNHKFAXISPTYHL-CQSZACIVSA-N
XLogP2.48
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyclohexylpiperidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide?
The IUPAC name of N-[(3R)-1-cyclohexylpiperidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide (CID 125156435) is N-[(3R)-1-cyclohexylpiperidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyclohexylpiperidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide?
The canonical SMILES for N-[(3R)-1-cyclohexylpiperidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide is Cc1cc(=O)cc(C(=O)N[C@@H]2CCCN(C3CCCCC3)C2)o1.
What is the InChIKey of N-[(3R)-1-cyclohexylpiperidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide?
The InChIKey is KNHKFAXISPTYHL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13-10-16(21)11-17(23-13)18(22)19-14-6-5-9-20(12-14)15-7-3-2-4-8-15/h10-11,14-15H,2-9,12H2,1H3,(H,19,22)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-cyclohexylpiperidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide?
N-[(3R)-1-cyclohexylpiperidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyclohexylpiperidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide is sourced from PubChem (CID 125156435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).