(3R)-3-methyl-N-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]-5-oxo-5-piperidin-1-ylpentanamide

C19H30N2O2 — CID 70477061

IUPAC(3R)-3-methyl-N-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]-5-oxo-5-piperidin-1-ylpentanamide
SMILESC[C@H](CC(=O)NC[C@@]1(C)C=CC=CC1)CC(=O)N1CCCCC1
InChIInChI=1S/C19H30N2O2/c1-16(14-18(23)21-11-7-4-8-12-21)13-17(22)20-15-19(2)9-5-3-6-10-19/h3,5-6,9,16H,4,7-8,10-15H2,1-2H3,(H,20,22)/t16-,19+/m1/s1
InChIKeyXLJZTBNBTWAVFS-APWZRJJASA-N
MW318.46 g/mol
LogP3.05
Rot. Bonds6

About (3R)-3-methyl-N-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]-5-oxo-5-piperidin-1-ylpentanamide

(3R)-3-methyl-N-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]-5-oxo-5-piperidin-1-ylpentanamide (PubChem CID 70477061) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (3R)-3-methyl-N-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]-5-oxo-5-piperidin-1-ylpentanamide.

Molecular Properties

Compound Name(3R)-3-methyl-N-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]-5-oxo-5-piperidin-1-ylpentanamide
PubChem CID70477061
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(3R)-3-methyl-N-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]-5-oxo-5-piperidin-1-ylpentanamide
SMILESC[C@H](CC(=O)NC[C@@]1(C)C=CC=CC1)CC(=O)N1CCCCC1
InChIInChI=1S/C19H30N2O2/c1-16(14-18(23)21-11-7-4-8-12-21)13-17(22)20-15-19(2)9-5-3-6-10-19/h3,5-6,9,16H,4,7-8,10-15H2,1-2H3,(H,20,22)/t16-,19+/m1/s1
InChIKeyXLJZTBNBTWAVFS-APWZRJJASA-N
XLogP3.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]-5-oxo-5-piperidin-1-ylpentanamide?
The IUPAC name of (3R)-3-methyl-N-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]-5-oxo-5-piperidin-1-ylpentanamide (CID 70477061) is (3R)-3-methyl-N-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]-5-oxo-5-piperidin-1-ylpentanamide.
What is the SMILES notation for (3R)-3-methyl-N-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]-5-oxo-5-piperidin-1-ylpentanamide?
The canonical SMILES for (3R)-3-methyl-N-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]-5-oxo-5-piperidin-1-ylpentanamide is C[C@H](CC(=O)NC[C@@]1(C)C=CC=CC1)CC(=O)N1CCCCC1.
What is the InChIKey of (3R)-3-methyl-N-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]-5-oxo-5-piperidin-1-ylpentanamide?
The InChIKey is XLJZTBNBTWAVFS-APWZRJJASA-N. The full InChI is InChI=1S/C19H30N2O2/c1-16(14-18(23)21-11-7-4-8-12-21)13-17(22)20-15-19(2)9-5-3-6-10-19/h3,5-6,9,16H,4,7-8,10-15H2,1-2H3,(H,20,22)/t16-,19+/m1/s1.
What are the key properties of (3R)-3-methyl-N-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]-5-oxo-5-piperidin-1-ylpentanamide?
(3R)-3-methyl-N-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]-5-oxo-5-piperidin-1-ylpentanamide has a molecular weight of 318.46 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]-5-oxo-5-piperidin-1-ylpentanamide is sourced from PubChem (CID 70477061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).