3-[[2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetyl]amino]propanamide

C22H26N4O3 — CID 56895540

IUPAC3-[[2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetyl]amino]propanamide
SMILESNC(=O)CCNC(=O)CC1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H26N4O3/c23-20(27)10-11-24-21(28)14-19-22(29)25-12-13-26(19)15-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9,19H,10-15H2,(H2,23,27)(H,24,28)(H,25,29)
InChIKeyCPQNDNFSDHTIQF-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.04
Rot. Bonds8

About 3-[[2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetyl]amino]propanamide

3-[[2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetyl]amino]propanamide (PubChem CID 56895540) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-[[2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetyl]amino]propanamide.

Molecular Properties

Compound Name3-[[2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetyl]amino]propanamide
PubChem CID56895540
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name3-[[2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetyl]amino]propanamide
SMILESNC(=O)CCNC(=O)CC1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H26N4O3/c23-20(27)10-11-24-21(28)14-19-22(29)25-12-13-26(19)15-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9,19H,10-15H2,(H2,23,27)(H,24,28)(H,25,29)
InChIKeyCPQNDNFSDHTIQF-UHFFFAOYSA-N
XLogP1.04
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95727898
N-(3-methylbutyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95708193
3-[[2-[(2R)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetyl]amino]propanamide
CID 95716172
N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95719193
2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]acetamide
CID 29026246
2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-phenylpropyl)acetamide
CID 45174392
2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[2-(methylsulfamoyl)ethyl]acetamide
CID 95722495
2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 126454443
N,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 56891155
N-butyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56886045
N-ethyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56887750
N-(2-methylsulfanylethyl)-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 25458386

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetyl]amino]propanamide?
The IUPAC name of 3-[[2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetyl]amino]propanamide (CID 56895540) is 3-[[2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetyl]amino]propanamide.
What is the SMILES notation for 3-[[2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetyl]amino]propanamide?
The canonical SMILES for 3-[[2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetyl]amino]propanamide is NC(=O)CCNC(=O)CC1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-[[2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetyl]amino]propanamide?
The InChIKey is CPQNDNFSDHTIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c23-20(27)10-11-24-21(28)14-19-22(29)25-12-13-26(19)15-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9,19H,10-15H2,(H2,23,27)(H,24,28)(H,25,29).
What are the key properties of 3-[[2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetyl]amino]propanamide?
3-[[2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetyl]amino]propanamide has a molecular weight of 394.48 g/mol, XLogP of 1.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetyl]amino]propanamide is sourced from PubChem (CID 56895540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).