3-methyl-1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-3-carboxylic acid

C15H27N3O3 — CID 80547982

IUPAC3-methyl-1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)C(C)(C)N2CCNCC2)C1
InChIInChI=1S/C15H27N3O3/c1-14(2,18-9-6-16-7-10-18)12(19)17-8-4-5-15(3,11-17)13(20)21/h16H,4-11H2,1-3H3,(H,20,21)
InChIKeyYREWRTCQLJEZLQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.38
Rot. Bonds3

About 3-methyl-1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-3-carboxylic acid

3-methyl-1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-3-carboxylic acid (PubChem CID 80547982) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-methyl-1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-3-carboxylic acid
PubChem CID80547982
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name3-methyl-1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)C(C)(C)N2CCNCC2)C1
InChIInChI=1S/C15H27N3O3/c1-14(2,18-9-6-16-7-10-18)12(19)17-8-4-5-15(3,11-17)13(20)21/h16H,4-11H2,1-3H3,(H,20,21)
InChIKeyYREWRTCQLJEZLQ-UHFFFAOYSA-N
XLogP0.38
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-3-carboxylic acid (CID 80547982) is 3-methyl-1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)C(C)(C)N2CCNCC2)C1.
What is the InChIKey of 3-methyl-1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-3-carboxylic acid?
The InChIKey is YREWRTCQLJEZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-14(2,18-9-6-16-7-10-18)12(19)17-8-4-5-15(3,11-17)13(20)21/h16H,4-11H2,1-3H3,(H,20,21).
What are the key properties of 3-methyl-1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-3-carboxylic acid?
3-methyl-1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-3-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 80547982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).