1-[2-[cyclopentyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid

C16H28N2O3 — CID 63316003

IUPAC1-[2-[cyclopentyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
SMILESCC1CC(=O)N(CCN(C)C2CCCC2)C(C)C1C(=O)O
InChIInChI=1S/C16H28N2O3/c1-11-10-14(19)18(12(2)15(11)16(20)21)9-8-17(3)13-6-4-5-7-13/h11-13,15H,4-10H2,1-3H3,(H,20,21)
InChIKeyRAECXYUOTOVSCJ-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.82
Rot. Bonds5

About 1-[2-[cyclopentyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid

1-[2-[cyclopentyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid (PubChem CID 63316003) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[2-[cyclopentyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[cyclopentyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
PubChem CID63316003
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[2-[cyclopentyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
SMILESCC1CC(=O)N(CCN(C)C2CCCC2)C(C)C1C(=O)O
InChIInChI=1S/C16H28N2O3/c1-11-10-14(19)18(12(2)15(11)16(20)21)9-8-17(3)13-6-4-5-7-13/h11-13,15H,4-10H2,1-3H3,(H,20,21)
InChIKeyRAECXYUOTOVSCJ-UHFFFAOYSA-N
XLogP1.82
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopentyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-[cyclopentyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid (CID 63316003) is 1-[2-[cyclopentyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[cyclopentyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[cyclopentyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid is CC1CC(=O)N(CCN(C)C2CCCC2)C(C)C1C(=O)O.
What is the InChIKey of 1-[2-[cyclopentyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The InChIKey is RAECXYUOTOVSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11-10-14(19)18(12(2)15(11)16(20)21)9-8-17(3)13-6-4-5-7-13/h11-13,15H,4-10H2,1-3H3,(H,20,21).
What are the key properties of 1-[2-[cyclopentyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
1-[2-[cyclopentyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopentyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 63316003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).