(2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide

C22H29N3O — CID 9250174

IUPAC(2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)[C@H](C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c1-17(2)20-11-7-8-12-21(20)23-22(26)18(3)24-13-15-25(16-14-24)19-9-5-4-6-10-19/h4-12,17-18H,13-16H2,1-3H3,(H,23,26)/t18-/m0/s1
InChIKeySYHHSFXMZMGROJ-SFHVURJKSA-N
MW351.49 g/mol
LogP3.96
Rot. Bonds5

About (2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide

(2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 9250174) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is (2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
PubChem CID9250174
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name(2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)[C@H](C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c1-17(2)20-11-7-8-12-21(20)23-22(26)18(3)24-13-15-25(16-14-24)19-9-5-4-6-10-19/h4-12,17-18H,13-16H2,1-3H3,(H,23,26)/t18-/m0/s1
InChIKeySYHHSFXMZMGROJ-SFHVURJKSA-N
XLogP3.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9460394
N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 46800715
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 9249291
(2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250150
2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 2653936
2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 24506735
3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 109027170
N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46673136
2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 24664257
N-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 18078421
(2R)-N-(2-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9276896
2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 17395059

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of (2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide (CID 9250174) is (2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide is CC(C)c1ccccc1NC(=O)[C@H](C)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is SYHHSFXMZMGROJ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H29N3O/c1-17(2)20-11-7-8-12-21(20)23-22(26)18(3)24-13-15-25(16-14-24)19-9-5-4-6-10-19/h4-12,17-18H,13-16H2,1-3H3,(H,23,26)/t18-/m0/s1.
What are the key properties of (2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide?
(2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 351.49 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 9250174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).