N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3-phenylpropanamide

C22H27N3O2 — CID 110348001

IUPACN-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3-phenylpropanamide
SMILESC[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c1-18(23-21(26)13-12-19-8-4-2-5-9-19)22(27)25-16-14-24(15-17-25)20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3,(H,23,26)/t18-/m0/s1
InChIKeyZHLWTEXBFFPWIE-SFHVURJKSA-N
MW365.48 g/mol
LogP2.47
Rot. Bonds6

About N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3-phenylpropanamide

N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3-phenylpropanamide (PubChem CID 110348001) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3-phenylpropanamide
PubChem CID110348001
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3-phenylpropanamide
SMILESC[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c1-18(23-21(26)13-12-19-8-4-2-5-9-19)22(27)25-16-14-24(15-17-25)20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3,(H,23,26)/t18-/m0/s1
InChIKeyZHLWTEXBFFPWIE-SFHVURJKSA-N
XLogP2.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-4-phenoxybutanamide
CID 110348003
2-(4-fluorophenyl)-N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]acetamide
CID 110347997
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 110371175
N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 2558168
1,1-dimethyl-3-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
CID 110348022
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829787
(2S)-1-[(2S)-2-(3-phenylpropanoylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 54268836
N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-3-(2-fluorophenyl)propanamide
CID 110625525
4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 112760576
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-3-pyridin-3-ylpropanamide
CID 169260123
N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide
CID 110285473
N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-3-phenylpropanamide
CID 110351597

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3-phenylpropanamide?
The IUPAC name of N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3-phenylpropanamide (CID 110348001) is N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3-phenylpropanamide is C[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3-phenylpropanamide?
The InChIKey is ZHLWTEXBFFPWIE-SFHVURJKSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-18(23-21(26)13-12-19-8-4-2-5-9-19)22(27)25-16-14-24(15-17-25)20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3,(H,23,26)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3-phenylpropanamide?
N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3-phenylpropanamide has a molecular weight of 365.48 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 110348001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).