4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid

C11H19N3O3 — CID 91186239

IUPAC4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C11H19N3O3/c15-10(9-1-3-12-4-2-9)13-5-7-14(8-6-13)11(16)17/h9,12H,1-8H2,(H,16,17)
InChIKeyFGRZIQFZFKSLBJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.19
Rot. Bonds1

About 4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid

4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid (PubChem CID 91186239) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid
PubChem CID91186239
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C11H19N3O3/c15-10(9-1-3-12-4-2-9)13-5-7-14(8-6-13)11(16)17/h9,12H,1-8H2,(H,16,17)
InChIKeyFGRZIQFZFKSLBJ-UHFFFAOYSA-N
XLogP-0.19
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropanecarbonyl)piperazine-1-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone
CID 175756843
ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
CID 176554643
[4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 54872509
4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 69084155
piperidin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103797757
1-(piperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63030374
4-(piperidine-3-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493567
piperidin-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61259794
2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]acetic acid
CID 139720169
[(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 90192135
[4-(piperidine-4-carbonyl)piperazin-1-yl] 2,2-dimethylpropanoate
CID 175276230
(4-cyclopentyloxypiperidin-1-yl)-piperidin-4-ylmethanone
CID 119312944

Frequently Asked Questions

What is the IUPAC name of 4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid (CID 91186239) is 4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid is O=C(O)N1CCN(C(=O)C2CCNCC2)CC1.
What is the InChIKey of 4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid?
The InChIKey is FGRZIQFZFKSLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c15-10(9-1-3-12-4-2-9)13-5-7-14(8-6-13)11(16)17/h9,12H,1-8H2,(H,16,17).
What are the key properties of 4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid?
4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 91186239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).