azepan-1-yl-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone

C13H24N2O2 — CID 79152113

IUPACazepan-1-yl-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
SMILESCC(C)C1(O)CN(C(=O)N2CCCCCC2)C1
InChIInChI=1S/C13H24N2O2/c1-11(2)13(17)9-15(10-13)12(16)14-7-5-3-4-6-8-14/h11,17H,3-10H2,1-2H3
InChIKeyNVXQKJDXMFSMKY-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.69
Rot. Bonds1

About azepan-1-yl-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone

azepan-1-yl-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone (PubChem CID 79152113) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is azepan-1-yl-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
PubChem CID79152113
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nameazepan-1-yl-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
SMILESCC(C)C1(O)CN(C(=O)N2CCCCCC2)C1
InChIInChI=1S/C13H24N2O2/c1-11(2)13(17)9-15(10-13)12(16)14-7-5-3-4-6-8-14/h11,17H,3-10H2,1-2H3
InChIKeyNVXQKJDXMFSMKY-UHFFFAOYSA-N
XLogP1.69
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-amino-3-propan-2-ylazetidin-1-yl)-piperidin-1-ylmethanone
CID 79155389
(3-ethyl-3-hydroxyazetidin-1-yl)-piperidin-1-ylmethanone
CID 79156175
(3-amino-3-methylazetidin-1-yl)-piperidin-1-ylmethanone
CID 79155212
azepan-1-yl-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743359
(3-hydroxy-3-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone
CID 103727843
(2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one
CID 107220086
1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 107220230
azepan-1-yl-(4-tert-butylpiperazin-1-yl)methanone
CID 116654564
azepan-1-yl-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835725
[4-(2-methylpropyl)piperazin-1-yl]-piperidin-1-ylmethanone
CID 70534208
azocan-1-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 117068106
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The IUPAC name of azepan-1-yl-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone (CID 79152113) is azepan-1-yl-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone.
What is the SMILES notation for azepan-1-yl-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The canonical SMILES for azepan-1-yl-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone is CC(C)C1(O)CN(C(=O)N2CCCCCC2)C1.
What is the InChIKey of azepan-1-yl-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The InChIKey is NVXQKJDXMFSMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(2)13(17)9-15(10-13)12(16)14-7-5-3-4-6-8-14/h11,17H,3-10H2,1-2H3.
What are the key properties of azepan-1-yl-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
azepan-1-yl-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone is sourced from PubChem (CID 79152113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).