4-(3,4-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid

C14H24N2O3 — CID 63783353

IUPAC4-(3,4-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESCC1CN(C(=O)C2CCC(C(=O)O)CC2)CCN1C
InChIInChI=1S/C14H24N2O3/c1-10-9-16(8-7-15(10)2)13(17)11-3-5-12(6-4-11)14(18)19/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeyQFDKFNUFVIEZCM-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.04
Rot. Bonds2

About 4-(3,4-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid

4-(3,4-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 63783353) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(3,4-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID63783353
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-(3,4-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESCC1CN(C(=O)C2CCC(C(=O)O)CC2)CCN1C
InChIInChI=1S/C14H24N2O3/c1-10-9-16(8-7-15(10)2)13(17)11-3-5-12(6-4-11)14(18)19/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeyQFDKFNUFVIEZCM-UHFFFAOYSA-N
XLogP1.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783355
cis-(1S,2R)-2-(3,4-dimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114092330
4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783969
4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120691002
(2R)-4-(4-hydroxycyclohexanecarbonyl)-1-methylpiperazine-2-carboxylic acid
CID 98265692
1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122083640
cis-(1S,3R)-3-(3,4,5-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114093101
(3R,6R)-1,6-dimethylpiperidine-3-carboxylic acid
CID 124547889
cyclopropyl-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone
CID 130678865
(6R)-1,6-dimethylpiperidine-3-carboxylic acid
CID 145074333
4-(4-hydroxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782265
1-[(3S)-3,4-dimethylpiperazin-1-yl]prop-2-yn-1-one
CID 167089469

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(3,4-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid (CID 63783353) is 4-(3,4-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(3,4-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(3,4-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid is CC1CN(C(=O)C2CCC(C(=O)O)CC2)CCN1C.
What is the InChIKey of 4-(3,4-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is QFDKFNUFVIEZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10-9-16(8-7-15(10)2)13(17)11-3-5-12(6-4-11)14(18)19/h10-12H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 4-(3,4-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
4-(3,4-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63783353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).