(2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide

C21H27N3O — CID 40940116

IUPAC(2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide
SMILESC[C@H](NC(=O)[C@@H](C)N1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H27N3O/c1-17(19-9-5-3-6-10-19)22-21(25)18(2)23-13-15-24(16-14-23)20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3,(H,22,25)/t17-,18+/m0/s1
InChIKeyXFHCICXCKXHZAI-ZWKOTPCHSA-N
MW337.47 g/mol
LogP3.07
Rot. Bonds5

About (2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide

(2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 40940116) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide
PubChem CID40940116
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name(2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide
SMILESC[C@H](NC(=O)[C@@H](C)N1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H27N3O/c1-17(19-9-5-3-6-10-19)22-21(25)18(2)23-13-15-24(16-14-23)20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3,(H,22,25)/t17-,18+/m0/s1
InChIKeyXFHCICXCKXHZAI-ZWKOTPCHSA-N
XLogP3.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 40792883
(2R)-2-morpholin-4-yl-N-[(1S)-1-phenylethyl]propanamide
CID 27067773
2-morpholin-4-yl-N-(1-phenylethyl)propanamide
CID 42913456
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide
CID 78787136
N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide
CID 46697935
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]-2-phenylacetic acid
CID 154743598
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylethyl)propanamide
CID 75810047
N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732576
(2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9250174
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide
CID 46800680
N-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 18078421

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of (2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide (CID 40940116) is (2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for (2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide is C[C@H](NC(=O)[C@@H](C)N1CCN(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of (2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is XFHCICXCKXHZAI-ZWKOTPCHSA-N. The full InChI is InChI=1S/C21H27N3O/c1-17(19-9-5-3-6-10-19)22-21(25)18(2)23-13-15-24(16-14-23)20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3,(H,22,25)/t17-,18+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide?
(2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 337.47 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 40940116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).