(4-cyclopropylpiperazin-1-yl)-(2,6-dichloro-3-pyridinyl)methanone

C13H15Cl2N3O — CID 106993357

IUPAC(4-cyclopropylpiperazin-1-yl)-(2,6-dichloro-3-pyridinyl)methanone
SMILESO=C(c1ccc(Cl)nc1Cl)N1CCN(C2CC2)CC1
InChIInChI=1S/C13H15Cl2N3O/c14-11-4-3-10(12(15)16-11)13(19)18-7-5-17(6-8-18)9-1-2-9/h3-4,9H,1-2,5-8H2
InChIKeyKZCPVUAQJJINLK-UHFFFAOYSA-N
MW300.19 g/mol
LogP2.31
Rot. Bonds2

About (4-cyclopropylpiperazin-1-yl)-(2,6-dichloro-3-pyridinyl)methanone

(4-cyclopropylpiperazin-1-yl)-(2,6-dichloro-3-pyridinyl)methanone (PubChem CID 106993357) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is (4-cyclopropylpiperazin-1-yl)-(2,6-dichloro-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-cyclopropylpiperazin-1-yl)-(2,6-dichloro-3-pyridinyl)methanone
PubChem CID106993357
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name(4-cyclopropylpiperazin-1-yl)-(2,6-dichloro-3-pyridinyl)methanone
SMILESO=C(c1ccc(Cl)nc1Cl)N1CCN(C2CC2)CC1
InChIInChI=1S/C13H15Cl2N3O/c14-11-4-3-10(12(15)16-11)13(19)18-7-5-17(6-8-18)9-1-2-9/h3-4,9H,1-2,5-8H2
InChIKeyKZCPVUAQJJINLK-UHFFFAOYSA-N
XLogP2.31
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (4-cyclopropylpiperazin-1-yl)-(2,6-dichloro-3-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,6-dichloro-3-pyridinyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 106993823
(2,6-dichloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106994520
(2,6-dichloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 113228669
(6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 61052707
(2-chloro-5-sulfanylphenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 107024682
(5-bromo-2-chlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 54912287
(4-butan-2-ylpiperazin-1-yl)-(2,6-dichloro-3-pyridinyl)methanone
CID 106993762
(2,6-dichloro-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 106993810
4-(2,6-dichloropyridine-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide
CID 47078827
(2-amino-5-chloro-4-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 114923213
(4-amino-2-chlorophenyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride
CID 119887171
(5-chloro-2-nitrophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 61052709

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylpiperazin-1-yl)-(2,6-dichloro-3-pyridinyl)methanone?
The IUPAC name of (4-cyclopropylpiperazin-1-yl)-(2,6-dichloro-3-pyridinyl)methanone (CID 106993357) is (4-cyclopropylpiperazin-1-yl)-(2,6-dichloro-3-pyridinyl)methanone.
What is the SMILES notation for (4-cyclopropylpiperazin-1-yl)-(2,6-dichloro-3-pyridinyl)methanone?
The canonical SMILES for (4-cyclopropylpiperazin-1-yl)-(2,6-dichloro-3-pyridinyl)methanone is O=C(c1ccc(Cl)nc1Cl)N1CCN(C2CC2)CC1.
What is the InChIKey of (4-cyclopropylpiperazin-1-yl)-(2,6-dichloro-3-pyridinyl)methanone?
The InChIKey is KZCPVUAQJJINLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c14-11-4-3-10(12(15)16-11)13(19)18-7-5-17(6-8-18)9-1-2-9/h3-4,9H,1-2,5-8H2.
What are the key properties of (4-cyclopropylpiperazin-1-yl)-(2,6-dichloro-3-pyridinyl)methanone?
(4-cyclopropylpiperazin-1-yl)-(2,6-dichloro-3-pyridinyl)methanone has a molecular weight of 300.19 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylpiperazin-1-yl)-(2,6-dichloro-3-pyridinyl)methanone is sourced from PubChem (CID 106993357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).