1-[4-(2,3-dihydroxypropylamino)phenyl]piperidin-2-one

C14H20N2O3 — CID 168594537

IUPAC1-[4-(2,3-dihydroxypropylamino)phenyl]piperidin-2-one
SMILESO=C1CCCCN1c1ccc(NCC(O)CO)cc1
InChIInChI=1S/C14H20N2O3/c17-10-13(18)9-15-11-4-6-12(7-5-11)16-8-2-1-3-14(16)19/h4-7,13,15,17-18H,1-3,8-10H2
InChIKeyPFFMDUHLEXXNLR-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.97
Rot. Bonds5

About 1-[4-(2,3-dihydroxypropylamino)phenyl]piperidin-2-one

1-[4-(2,3-dihydroxypropylamino)phenyl]piperidin-2-one (PubChem CID 168594537) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[4-(2,3-dihydroxypropylamino)phenyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-(2,3-dihydroxypropylamino)phenyl]piperidin-2-one
PubChem CID168594537
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Name1-[4-(2,3-dihydroxypropylamino)phenyl]piperidin-2-one
SMILESO=C1CCCCN1c1ccc(NCC(O)CO)cc1
InChIInChI=1S/C14H20N2O3/c17-10-13(18)9-15-11-4-6-12(7-5-11)16-8-2-1-3-14(16)19/h4-7,13,15,17-18H,1-3,8-10H2
InChIKeyPFFMDUHLEXXNLR-UHFFFAOYSA-N
XLogP0.97
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2,3-dihydroxypropylamino)phenyl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(2,3-dihydroxypropylamino)phenyl]pyrrolidin-2-one
CID 168597538
1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one
CID 43679619
1-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylpyrrolidin-2-one
CID 168593452
3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol
CID 115121860
4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one
CID 59515485
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
2-[4-(2,3-dihydroxypropylamino)phenyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 168596967
4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-one;hydrochloride
CID 70873276
1-(4-aminophenyl)piperidin-2-one
CID 11458178
N-(2-methylpropyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18106043
1-[4-(methylamino)phenyl]pyrrolidin-2-one
CID 54310012
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydroxypropylamino)phenyl]piperidin-2-one?
The IUPAC name of 1-[4-(2,3-dihydroxypropylamino)phenyl]piperidin-2-one (CID 168594537) is 1-[4-(2,3-dihydroxypropylamino)phenyl]piperidin-2-one.
What is the SMILES notation for 1-[4-(2,3-dihydroxypropylamino)phenyl]piperidin-2-one?
The canonical SMILES for 1-[4-(2,3-dihydroxypropylamino)phenyl]piperidin-2-one is O=C1CCCCN1c1ccc(NCC(O)CO)cc1.
What is the InChIKey of 1-[4-(2,3-dihydroxypropylamino)phenyl]piperidin-2-one?
The InChIKey is PFFMDUHLEXXNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-10-13(18)9-15-11-4-6-12(7-5-11)16-8-2-1-3-14(16)19/h4-7,13,15,17-18H,1-3,8-10H2.
What are the key properties of 1-[4-(2,3-dihydroxypropylamino)phenyl]piperidin-2-one?
1-[4-(2,3-dihydroxypropylamino)phenyl]piperidin-2-one has a molecular weight of 264.33 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydroxypropylamino)phenyl]piperidin-2-one is sourced from PubChem (CID 168594537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).