1-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid

C14H25N3O3 — CID 63615862

IUPAC1-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCN1CCN(C(=O)NC2(C(=O)O)CCCC2)CC1(C)C
InChIInChI=1S/C14H25N3O3/c1-13(2)10-17(9-8-16(13)3)12(20)15-14(11(18)19)6-4-5-7-14/h4-10H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyBVUZYXKPJHXRMV-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.12
Rot. Bonds2

About 1-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 63615862) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID63615862
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCN1CCN(C(=O)NC2(C(=O)O)CCCC2)CC1(C)C
InChIInChI=1S/C14H25N3O3/c1-13(2)10-17(9-8-16(13)3)12(20)15-14(11(18)19)6-4-5-7-14/h4-10H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyBVUZYXKPJHXRMV-UHFFFAOYSA-N
XLogP1.12
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 63615862) is 1-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid is CN1CCN(C(=O)NC2(C(=O)O)CCCC2)CC1(C)C.
What is the InChIKey of 1-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is BVUZYXKPJHXRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-13(2)10-17(9-8-16(13)3)12(20)15-14(11(18)19)6-4-5-7-14/h4-10H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 1-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 63615862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).