1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one

C14H26N2O2 — CID 60676901

IUPAC1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCCCCC1)N1CCC(O)CC1
InChIInChI=1S/C14H26N2O2/c1-12(15-10-6-13(17)7-11-15)14(18)16-8-4-2-3-5-9-16/h12-13,17H,2-11H2,1H3
InChIKeyRZIPFRDVFJVPGE-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.23
Rot. Bonds2

About 1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one

1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one (PubChem CID 60676901) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
PubChem CID60676901
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCCCCC1)N1CCC(O)CC1
InChIInChI=1S/C14H26N2O2/c1-12(15-10-6-13(17)7-11-15)14(18)16-8-4-2-3-5-9-16/h12-13,17H,2-11H2,1H3
InChIKeyRZIPFRDVFJVPGE-UHFFFAOYSA-N
XLogP1.23
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-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-(azepan-1-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 78963692
1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 134058372
2-(4-hydroxypiperidin-1-yl)-1-morpholin-4-ylpropan-1-one
CID 60638552
(2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 1439732
1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 60677400
2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 134058373
2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 60769000
N,N-dimethyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidine-4-carboxamide
CID 78788245
methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate
CID 60638892
(2S)-2-[4-(2-methylpropoxy)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 94651845
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 63847543
1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidin-4-one
CID 43083770

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one (CID 60676901) is 1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one is CC(C(=O)N1CCCCCC1)N1CCC(O)CC1.
What is the InChIKey of 1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one?
The InChIKey is RZIPFRDVFJVPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(15-10-6-13(17)7-11-15)14(18)16-8-4-2-3-5-9-16/h12-13,17H,2-11H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one?
1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one has a molecular weight of 254.37 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 60676901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).