(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

C19H23N3O — CID 120729165

IUPAC(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCCCc1ccc(C(=O)N2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C19H23N3O/c1-2-4-15-6-8-16(9-7-15)19(23)22-12-11-21-14-18(22)17-5-3-10-20-13-17/h3,5-10,13,18,21H,2,4,11-12,14H2,1H3
InChIKeyMCDWBYUWSQEKSA-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.82
Rot. Bonds4

About (4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 120729165) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is (4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID120729165
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCCCc1ccc(C(=O)N2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C19H23N3O/c1-2-4-15-6-8-16(9-7-15)19(23)22-12-11-21-14-18(22)17-5-3-10-20-13-17/h3,5-10,13,18,21H,2,4,11-12,14H2,1H3
InChIKeyMCDWBYUWSQEKSA-UHFFFAOYSA-N
XLogP2.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-propylphenyl)-(2-pyridin-3-ylpiperazin-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

1-(4-propylphenyl)-4-(2-pyridin-3-ylpiperazin-1-yl)butane-1,4-dione
CID 120732195
N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 120731142
[4-(imidazol-1-ylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730841
N-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 120732145
2,2-dimethyl-N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 120729451
(2-pyridin-3-ylpiperazin-1-yl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 120731821
2-(4-butylphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120730121
[4-(4-ethylpiperazin-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120732288
[4-(difluoromethylsulfonylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729050
(4-ethyl-5-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729251
[4-[methyl(2-methylpropyl)amino]phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731304
(5-methyl-4-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731166

Frequently Asked Questions

What is the IUPAC name of (4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (CID 120729165) is (4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is CCCc1ccc(C(=O)N2CCNCC2c2cccnc2)cc1.
What is the InChIKey of (4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is MCDWBYUWSQEKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-2-4-15-6-8-16(9-7-15)19(23)22-12-11-21-14-18(22)17-5-3-10-20-13-17/h3,5-10,13,18,21H,2,4,11-12,14H2,1H3.
What are the key properties of (4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 309.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120729165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).