(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide

C22H33FN4O2 — CID 30737865

IUPAC(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)N2CCN(CC(=O)N3CCCCCC3)CC2)cc1F
InChIInChI=1S/C22H33FN4O2/c1-17-7-8-19(15-20(17)23)24-22(29)18(2)26-13-11-25(12-14-26)16-21(28)27-9-5-3-4-6-10-27/h7-8,15,18H,3-6,9-14,16H2,1-2H3,(H,24,29)/t18-/m1/s1
InChIKeyNNQWAPGXPIXMLR-GOSISDBHSA-N
MW404.53 g/mol
LogP2.48
Rot. Bonds5

About (2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide

(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide (PubChem CID 30737865) has the molecular formula C22H33FN4O2 and a molecular weight of 404.53 g/mol. Its IUPAC name is (2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide
PubChem CID30737865
Molecular FormulaC22H33FN4O2
Molecular Weight404.53 g/mol
Exact Mass404.26
IUPAC Name(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)N2CCN(CC(=O)N3CCCCCC3)CC2)cc1F
InChIInChI=1S/C22H33FN4O2/c1-17-7-8-19(15-20(17)23)24-22(29)18(2)26-13-11-25(12-14-26)16-21(28)27-9-5-3-4-6-10-27/h7-8,15,18H,3-6,9-14,16H2,1-2H3,(H,24,29)/t18-/m1/s1
InChIKeyNNQWAPGXPIXMLR-GOSISDBHSA-N
XLogP2.48
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide 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

N-(3,4-difluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 42926177
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3,4-difluorophenyl)propanamide
CID 30737955
(2S)-N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 8774340
(2S)-N-(3-fluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 30737874
(2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 30623055
(2R)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 30956481
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide
CID 30738137
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 30737410
(2S)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 8774334
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 43025784
N-(2,5-dimethylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 45281660
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-chloro-4-fluorophenyl)propanamide
CID 30723498

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide?
The IUPAC name of (2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide (CID 30737865) is (2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide is Cc1ccc(NC(=O)[C@@H](C)N2CCN(CC(=O)N3CCCCCC3)CC2)cc1F.
What is the InChIKey of (2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide?
The InChIKey is NNQWAPGXPIXMLR-GOSISDBHSA-N. The full InChI is InChI=1S/C22H33FN4O2/c1-17-7-8-19(15-20(17)23)24-22(29)18(2)26-13-11-25(12-14-26)16-21(28)27-9-5-3-4-6-10-27/h7-8,15,18H,3-6,9-14,16H2,1-2H3,(H,24,29)/t18-/m1/s1.
What are the key properties of (2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide?
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide has a molecular weight of 404.53 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 30737865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).