5-oxo-5-[2-[4-(N-propanoylanilino)piperidin-1-yl]ethylamino]pentanoic acid

C21H31N3O4 — CID 156738344

IUPAC5-oxo-5-[2-[4-(N-propanoylanilino)piperidin-1-yl]ethylamino]pentanoic acid
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCNC(=O)CCCC(=O)O)CC1
InChIInChI=1S/C21H31N3O4/c1-2-20(26)24(17-7-4-3-5-8-17)18-11-14-23(15-12-18)16-13-22-19(25)9-6-10-21(27)28/h3-5,7-8,18H,2,6,9-16H2,1H3,(H,22,25)(H,27,28)
InChIKeyLRWXHJDEGLIXGC-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.27
Rot. Bonds10

About 5-oxo-5-[2-[4-(N-propanoylanilino)piperidin-1-yl]ethylamino]pentanoic acid

5-oxo-5-[2-[4-(N-propanoylanilino)piperidin-1-yl]ethylamino]pentanoic acid (PubChem CID 156738344) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-oxo-5-[2-[4-(N-propanoylanilino)piperidin-1-yl]ethylamino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[2-[4-(N-propanoylanilino)piperidin-1-yl]ethylamino]pentanoic acid
PubChem CID156738344
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Name5-oxo-5-[2-[4-(N-propanoylanilino)piperidin-1-yl]ethylamino]pentanoic acid
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCNC(=O)CCCC(=O)O)CC1
InChIInChI=1S/C21H31N3O4/c1-2-20(26)24(17-7-4-3-5-8-17)18-11-14-23(15-12-18)16-13-22-19(25)9-6-10-21(27)28/h3-5,7-8,18H,2,6,9-16H2,1H3,(H,22,25)(H,27,28)
InChIKeyLRWXHJDEGLIXGC-UHFFFAOYSA-N
XLogP2.27
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-butylpiperidin-4-yl)-N-phenylpropanamide
CID 91753688
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 68613507
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide
CID 126650510
2-oxo-2-phenylmethoxyacetic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 155024434
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate
CID 53341505
N-[1-[2-[4-(methanethioylamino)phenyl]ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 154953055
(E)-but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 6445104
N-[1-[2-(2,6-dimethoxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 165361588
3-[3-methyl-4-(N-propanoylanilino)piperidin-1-yl]propanoic acid
CID 57141951
N-[3-oxo-3-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)propyl]benzamide
CID 73345882

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[2-[4-(N-propanoylanilino)piperidin-1-yl]ethylamino]pentanoic acid?
The IUPAC name of 5-oxo-5-[2-[4-(N-propanoylanilino)piperidin-1-yl]ethylamino]pentanoic acid (CID 156738344) is 5-oxo-5-[2-[4-(N-propanoylanilino)piperidin-1-yl]ethylamino]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[2-[4-(N-propanoylanilino)piperidin-1-yl]ethylamino]pentanoic acid?
The canonical SMILES for 5-oxo-5-[2-[4-(N-propanoylanilino)piperidin-1-yl]ethylamino]pentanoic acid is CCC(=O)N(c1ccccc1)C1CCN(CCNC(=O)CCCC(=O)O)CC1.
What is the InChIKey of 5-oxo-5-[2-[4-(N-propanoylanilino)piperidin-1-yl]ethylamino]pentanoic acid?
The InChIKey is LRWXHJDEGLIXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-2-20(26)24(17-7-4-3-5-8-17)18-11-14-23(15-12-18)16-13-22-19(25)9-6-10-21(27)28/h3-5,7-8,18H,2,6,9-16H2,1H3,(H,22,25)(H,27,28).
What are the key properties of 5-oxo-5-[2-[4-(N-propanoylanilino)piperidin-1-yl]ethylamino]pentanoic acid?
5-oxo-5-[2-[4-(N-propanoylanilino)piperidin-1-yl]ethylamino]pentanoic acid has a molecular weight of 389.50 g/mol, XLogP of 2.27, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[2-[4-(N-propanoylanilino)piperidin-1-yl]ethylamino]pentanoic acid is sourced from PubChem (CID 156738344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).