1-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid

C15H27N3O3 — CID 62776977

IUPAC1-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
SMILESCC(C)CN1CCN(C(=O)N2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C15H27N3O3/c1-12(2)11-16-7-9-18(10-8-16)15(21)17-5-3-13(4-6-17)14(19)20/h12-13H,3-11H2,1-2H3,(H,19,20)
InChIKeyFJSDVSZSYYACAR-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.18
Rot. Bonds3

About 1-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid

1-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid (PubChem CID 62776977) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
PubChem CID62776977
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
SMILESCC(C)CN1CCN(C(=O)N2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C15H27N3O3/c1-12(2)11-16-7-9-18(10-8-16)15(21)17-5-3-13(4-6-17)14(19)20/h12-13H,3-11H2,1-2H3,(H,19,20)
InChIKeyFJSDVSZSYYACAR-UHFFFAOYSA-N
XLogP1.18
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 116655615
[4-(2-methylpropyl)piperazin-1-yl]-piperidin-1-ylmethanone
CID 70534208
4-methyl-1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidine-3-carboxylic acid
CID 63721838
[4-(2-methylpropyl)piperazin-1-yl]-piperazin-1-ylmethanone
CID 62775488
(1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 165146139
1-(2-methyl-3-pyrrolidin-1-ylpropanoyl)piperidine-4-carboxylic acid
CID 121494294
2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid
CID 2051289
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
1-(2-methylbutyl)piperidine-4-carboxylic acid
CID 62104958
2-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60950003
2-[1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid
CID 62777322
3-[4-(2-methylpropyl)piperazine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 62775391

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid (CID 62776977) is 1-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid is CC(C)CN1CCN(C(=O)N2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 1-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is FJSDVSZSYYACAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-12(2)11-16-7-9-18(10-8-16)15(21)17-5-3-13(4-6-17)14(19)20/h12-13H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 1-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid?
1-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 62776977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).