1-(cyclohexylmethyl)-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide

C19H28N2O3 — CID 24817471

IUPAC1-(cyclohexylmethyl)-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(=O)N(CC3CCCCC3)C2)o1
InChIInChI=1S/C19H28N2O3/c1-14-7-9-17(24-14)11-20-19(23)16-8-10-18(22)21(13-16)12-15-5-3-2-4-6-15/h7,9,15-16H,2-6,8,10-13H2,1H3,(H,20,23)
InChIKeyGNCKNLPOWVVUEQ-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.02
Rot. Bonds5

About 1-(cyclohexylmethyl)-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide

1-(cyclohexylmethyl)-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24817471) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24817471
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-(cyclohexylmethyl)-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(=O)N(CC3CCCCC3)C2)o1
InChIInChI=1S/C19H28N2O3/c1-14-7-9-17(24-14)11-20-19(23)16-8-10-18(22)21(13-16)12-15-5-3-2-4-6-15/h7,9,15-16H,2-6,8,10-13H2,1H3,(H,20,23)
InChIKeyGNCKNLPOWVVUEQ-UHFFFAOYSA-N
XLogP3.02
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 24817471) is 1-(cyclohexylmethyl)-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide is Cc1ccc(CNC(=O)C2CCC(=O)N(CC3CCCCC3)C2)o1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is GNCKNLPOWVVUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14-7-9-17(24-14)11-20-19(23)16-8-10-18(22)21(13-16)12-15-5-3-2-4-6-15/h7,9,15-16H,2-6,8,10-13H2,1H3,(H,20,23).
What are the key properties of 1-(cyclohexylmethyl)-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-(cyclohexylmethyl)-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24817471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).