(5-chloro-2-pyridinyl)-(2,2-dimethylpiperazin-1-yl)methanone

C12H16ClN3O — CID 65461122

IUPAC(5-chloro-2-pyridinyl)-(2,2-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CNCCN1C(=O)c1ccc(Cl)cn1
InChIInChI=1S/C12H16ClN3O/c1-12(2)8-14-5-6-16(12)11(17)10-4-3-9(13)7-15-10/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyJOWZFZWDZMHBHF-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.56
Rot. Bonds1

About (5-chloro-2-pyridinyl)-(2,2-dimethylpiperazin-1-yl)methanone

(5-chloro-2-pyridinyl)-(2,2-dimethylpiperazin-1-yl)methanone (PubChem CID 65461122) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is (5-chloro-2-pyridinyl)-(2,2-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-pyridinyl)-(2,2-dimethylpiperazin-1-yl)methanone
PubChem CID65461122
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name(5-chloro-2-pyridinyl)-(2,2-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CNCCN1C(=O)c1ccc(Cl)cn1
InChIInChI=1S/C12H16ClN3O/c1-12(2)8-14-5-6-16(12)11(17)10-4-3-9(13)7-15-10/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyJOWZFZWDZMHBHF-UHFFFAOYSA-N
XLogP1.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-chloro-2-pyridinyl)-(2,2-dimethylpiperazin-1-yl)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

(2,4-dichlorophenyl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 65461126
(5-chloro-2-methylphenyl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 82883411
(4-chloro-1H-pyrrol-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 65462115
(4-chlorophenyl)-(2,2-dimethyl-1,4-diazepan-1-yl)methanone
CID 82247007
(5-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727395
1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbonitrile
CID 113364813
5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 113400496
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-pyridinyl)methanone
CID 120818056
(2-chloro-4-fluorophenyl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 65461519
1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107160880
(2,2-dimethylpiperazin-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 103807450
[1-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-5-yl]-(2,2-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 170606548

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-pyridinyl)-(2,2-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (5-chloro-2-pyridinyl)-(2,2-dimethylpiperazin-1-yl)methanone (CID 65461122) is (5-chloro-2-pyridinyl)-(2,2-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-pyridinyl)-(2,2-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-pyridinyl)-(2,2-dimethylpiperazin-1-yl)methanone is CC1(C)CNCCN1C(=O)c1ccc(Cl)cn1.
What is the InChIKey of (5-chloro-2-pyridinyl)-(2,2-dimethylpiperazin-1-yl)methanone?
The InChIKey is JOWZFZWDZMHBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-12(2)8-14-5-6-16(12)11(17)10-4-3-9(13)7-15-10/h3-4,7,14H,5-6,8H2,1-2H3.
What are the key properties of (5-chloro-2-pyridinyl)-(2,2-dimethylpiperazin-1-yl)methanone?
(5-chloro-2-pyridinyl)-(2,2-dimethylpiperazin-1-yl)methanone has a molecular weight of 253.73 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-pyridinyl)-(2,2-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 65461122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).