4-[3-chloro-5-(cyclopropanecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid

C14H16ClN3O3 — CID 68913848

IUPAC4-[3-chloro-5-(cyclopropanecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid
SMILESO=C(c1cnc(N2CCN(C(=O)O)CC2)c(Cl)c1)C1CC1
InChIInChI=1S/C14H16ClN3O3/c15-11-7-10(12(19)9-1-2-9)8-16-13(11)17-3-5-18(6-4-17)14(20)21/h7-9H,1-6H2,(H,20,21)
InChIKeyPHFCRYUVKQMPJC-UHFFFAOYSA-N
MW309.75 g/mol
LogP2.13
Rot. Bonds3

About 4-[3-chloro-5-(cyclopropanecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid

4-[3-chloro-5-(cyclopropanecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid (PubChem CID 68913848) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is 4-[3-chloro-5-(cyclopropanecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-chloro-5-(cyclopropanecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid
PubChem CID68913848
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Name4-[3-chloro-5-(cyclopropanecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid
SMILESO=C(c1cnc(N2CCN(C(=O)O)CC2)c(Cl)c1)C1CC1
InChIInChI=1S/C14H16ClN3O3/c15-11-7-10(12(19)9-1-2-9)8-16-13(11)17-3-5-18(6-4-17)14(20)21/h7-9H,1-6H2,(H,20,21)
InChIKeyPHFCRYUVKQMPJC-UHFFFAOYSA-N
XLogP2.13
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(cyclopropanecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[3-chloro-5-(cyclopropanecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid (CID 68913848) is 4-[3-chloro-5-(cyclopropanecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[3-chloro-5-(cyclopropanecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[3-chloro-5-(cyclopropanecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid is O=C(c1cnc(N2CCN(C(=O)O)CC2)c(Cl)c1)C1CC1.
What is the InChIKey of 4-[3-chloro-5-(cyclopropanecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid?
The InChIKey is PHFCRYUVKQMPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c15-11-7-10(12(19)9-1-2-9)8-16-13(11)17-3-5-18(6-4-17)14(20)21/h7-9H,1-6H2,(H,20,21).
What are the key properties of 4-[3-chloro-5-(cyclopropanecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid?
4-[3-chloro-5-(cyclopropanecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid has a molecular weight of 309.75 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-(cyclopropanecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 68913848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).