(2S)-N-(4-methoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide

C22H29N3O2 — CID 30738398

IUPAC(2S)-N-(4-methoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)N2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-18(22(26)23-20-8-10-21(27-2)11-9-20)25-16-14-24(15-17-25)13-12-19-6-4-3-5-7-19/h3-11,18H,12-17H2,1-2H3,(H,23,26)/t18-/m0/s1
InChIKeyILUWDRQKZBZGBR-SFHVURJKSA-N
MW367.49 g/mol
LogP2.88
Rot. Bonds7

About (2S)-N-(4-methoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide

(2S)-N-(4-methoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide (PubChem CID 30738398) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2S)-N-(4-methoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-methoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide
PubChem CID30738398
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(2S)-N-(4-methoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)N2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-18(22(26)23-20-8-10-21(27-2)11-9-20)25-16-14-24(15-17-25)13-12-19-6-4-3-5-7-19/h3-11,18H,12-17H2,1-2H3,(H,23,26)/t18-/m0/s1
InChIKeyILUWDRQKZBZGBR-SFHVURJKSA-N
XLogP2.88
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 9259058
(2R)-N-(2-methoxy-5-methylphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide
CID 30724673
(2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]propanamide
CID 94797572
(2R)-N-(2-fluorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide
CID 30724639
(2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 51894730
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 9259510
N-(4-methoxyphenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 46632227
N-(4-methoxyphenyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
CID 55470324
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55370406
(2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 9430598
(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 30622733
1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine
CID 175628874

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(4-methoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide (CID 30738398) is (2S)-N-(4-methoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(4-methoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(4-methoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide is COc1ccc(NC(=O)[C@H](C)N2CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of (2S)-N-(4-methoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide?
The InChIKey is ILUWDRQKZBZGBR-SFHVURJKSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-18(22(26)23-20-8-10-21(27-2)11-9-20)25-16-14-24(15-17-25)13-12-19-6-4-3-5-7-19/h3-11,18H,12-17H2,1-2H3,(H,23,26)/t18-/m0/s1.
What are the key properties of (2S)-N-(4-methoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide?
(2S)-N-(4-methoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide has a molecular weight of 367.49 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 30738398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).