(4-methylpiperazin-1-yl)-[4-[(2S)-3-methyl-1-pyridin-4-ylbutan-2-yl]phenyl]methanone

C22H29N3O — CID 59097818

IUPAC(4-methylpiperazin-1-yl)-[4-[(2S)-3-methyl-1-pyridin-4-ylbutan-2-yl]phenyl]methanone
SMILESCC(C)[C@H](Cc1ccncc1)c1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-17(2)21(16-18-8-10-23-11-9-18)19-4-6-20(7-5-19)22(26)25-14-12-24(3)13-15-25/h4-11,17,21H,12-16H2,1-3H3/t21-/m0/s1
InChIKeySUHJWJNDEACOGG-NRFANRHFSA-N
MW351.49 g/mol
LogP3.45
Rot. Bonds5

About (4-methylpiperazin-1-yl)-[4-[(2S)-3-methyl-1-pyridin-4-ylbutan-2-yl]phenyl]methanone

(4-methylpiperazin-1-yl)-[4-[(2S)-3-methyl-1-pyridin-4-ylbutan-2-yl]phenyl]methanone (PubChem CID 59097818) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[4-[(2S)-3-methyl-1-pyridin-4-ylbutan-2-yl]phenyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[4-[(2S)-3-methyl-1-pyridin-4-ylbutan-2-yl]phenyl]methanone
PubChem CID59097818
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name(4-methylpiperazin-1-yl)-[4-[(2S)-3-methyl-1-pyridin-4-ylbutan-2-yl]phenyl]methanone
SMILESCC(C)[C@H](Cc1ccncc1)c1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-17(2)21(16-18-8-10-23-11-9-18)19-4-6-20(7-5-19)22(26)25-14-12-24(3)13-15-25/h4-11,17,21H,12-16H2,1-3H3/t21-/m0/s1
InChIKeySUHJWJNDEACOGG-NRFANRHFSA-N
XLogP3.45
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methylpiperazin-1-yl)-[4-[(2S)-3-methyl-1-pyridin-4-ylbutan-2-yl]phenyl]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

(4-methylpiperazin-1-yl)-[4-(1-pyridin-4-ylpropan-2-yl)phenyl]methanone
CID 21336449
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 59232586
[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 70705426
(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856605
(4-iodopiperazin-1-yl)-pyridin-4-ylmethanone
CID 164591496
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride
CID 53350752
1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one
CID 112721883
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride
CID 53312695
3-(4-bromophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one
CID 110355527

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[4-[(2S)-3-methyl-1-pyridin-4-ylbutan-2-yl]phenyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[4-[(2S)-3-methyl-1-pyridin-4-ylbutan-2-yl]phenyl]methanone (CID 59097818) is (4-methylpiperazin-1-yl)-[4-[(2S)-3-methyl-1-pyridin-4-ylbutan-2-yl]phenyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[4-[(2S)-3-methyl-1-pyridin-4-ylbutan-2-yl]phenyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[4-[(2S)-3-methyl-1-pyridin-4-ylbutan-2-yl]phenyl]methanone is CC(C)[C@H](Cc1ccncc1)c1ccc(C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[4-[(2S)-3-methyl-1-pyridin-4-ylbutan-2-yl]phenyl]methanone?
The InChIKey is SUHJWJNDEACOGG-NRFANRHFSA-N. The full InChI is InChI=1S/C22H29N3O/c1-17(2)21(16-18-8-10-23-11-9-18)19-4-6-20(7-5-19)22(26)25-14-12-24(3)13-15-25/h4-11,17,21H,12-16H2,1-3H3/t21-/m0/s1.
What are the key properties of (4-methylpiperazin-1-yl)-[4-[(2S)-3-methyl-1-pyridin-4-ylbutan-2-yl]phenyl]methanone?
(4-methylpiperazin-1-yl)-[4-[(2S)-3-methyl-1-pyridin-4-ylbutan-2-yl]phenyl]methanone has a molecular weight of 351.49 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[4-[(2S)-3-methyl-1-pyridin-4-ylbutan-2-yl]phenyl]methanone is sourced from PubChem (CID 59097818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).