(3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

C17H25N3O — CID 120994448

IUPAC(3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCC(N3CCNCC3)C2)c1
InChIInChI=1S/C17H25N3O/c1-13-9-14(2)11-15(10-13)17(21)20-6-3-16(12-20)19-7-4-18-5-8-19/h9-11,16,18H,3-8,12H2,1-2H3
InChIKeyBLCLSRZTBZWFOU-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.42
Rot. Bonds2

About (3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

(3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 120994448) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
PubChem CID120994448
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCC(N3CCNCC3)C2)c1
InChIInChI=1S/C17H25N3O/c1-13-9-14(2)11-15(10-13)17(21)20-6-3-16(12-20)19-7-4-18-5-8-19/h9-11,16,18H,3-8,12H2,1-2H3
InChIKeyBLCLSRZTBZWFOU-UHFFFAOYSA-N
XLogP1.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-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

(3-methyl-5-nitrophenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997266
(3-bromo-5-fluorophenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995836
(5-methyl-1-benzofuran-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997472
3,9-diazabicyclo[4.2.1]nonan-3-yl-(3,5-dimethylphenyl)methanone
CID 81482499
N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 120997852
N,N-dimethyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride
CID 120995818
N-methyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride
CID 120995500
(3-ethoxy-4-methylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120994361
ethyl 3-nitro-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzoate
CID 120994504
(3-piperazin-1-ylpyrrolidin-1-yl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone;hydrochloride
CID 120994357
(2,3-dimethyl-5-methylsulfonylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997159
(3-methylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110441496

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (CID 120994448) is (3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is Cc1cc(C)cc(C(=O)N2CCC(N3CCNCC3)C2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is BLCLSRZTBZWFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13-9-14(2)11-15(10-13)17(21)20-6-3-16(12-20)19-7-4-18-5-8-19/h9-11,16,18H,3-8,12H2,1-2H3.
What are the key properties of (3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
(3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 287.41 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 120994448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).