1-cyclopentyl-3-(1,4-diazepan-1-yl)-1-hydroxy-1-phenylpropan-2-one

C19H28N2O2 — CID 11623842

IUPAC1-cyclopentyl-3-(1,4-diazepan-1-yl)-1-hydroxy-1-phenylpropan-2-one
SMILESO=C(CN1CCCNCC1)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C19H28N2O2/c22-18(15-21-13-6-11-20-12-14-21)19(23,17-9-4-5-10-17)16-7-2-1-3-8-16/h1-3,7-8,17,20,23H,4-6,9-15H2
InChIKeyDSGFPMYUGOOLHA-UHFFFAOYSA-N
MW316.44 g/mol
LogP1.93
Rot. Bonds5

About 1-cyclopentyl-3-(1,4-diazepan-1-yl)-1-hydroxy-1-phenylpropan-2-one

1-cyclopentyl-3-(1,4-diazepan-1-yl)-1-hydroxy-1-phenylpropan-2-one (PubChem CID 11623842) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1,4-diazepan-1-yl)-1-hydroxy-1-phenylpropan-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-(1,4-diazepan-1-yl)-1-hydroxy-1-phenylpropan-2-one
PubChem CID11623842
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-cyclopentyl-3-(1,4-diazepan-1-yl)-1-hydroxy-1-phenylpropan-2-one
SMILESO=C(CN1CCCNCC1)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C19H28N2O2/c22-18(15-21-13-6-11-20-12-14-21)19(23,17-9-4-5-10-17)16-7-2-1-3-8-16/h1-3,7-8,17,20,23H,4-6,9-15H2
InChIKeyDSGFPMYUGOOLHA-UHFFFAOYSA-N
XLogP1.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one
CID 10247985
1-cyclopentyl-1-hydroxy-3-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-phenylpropan-2-one
CID 59842499
1-cyclohexyl-2-(1,4-diazepan-1-yl)-1-phenylethanol
CID 70385276
3-cyclopentyl-1-(1,4-diazepan-1-yl)-1-hydroxy-1-phenylpropan-2-one
CID 90818144
2-(1,4-diazepan-1-yl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 62833293
2-(1,4-diazepan-1-yl)-1-(2-phenylcyclopropyl)ethanone
CID 116565467
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclotridec-1-yl]acetic acid
CID 143227014
2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide
CID 15023468
2-(1,4-diazepan-1-yl)-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 62833648
N-cyclohexyl-N-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid
CID 175285258
(4-cyclopentyl-4-hydroxy-3-oxo-4-phenylbutyl)-ethyl-dimethylazanium chloride
CID 10088596
2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide
CID 119906440

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1,4-diazepan-1-yl)-1-hydroxy-1-phenylpropan-2-one?
The IUPAC name of 1-cyclopentyl-3-(1,4-diazepan-1-yl)-1-hydroxy-1-phenylpropan-2-one (CID 11623842) is 1-cyclopentyl-3-(1,4-diazepan-1-yl)-1-hydroxy-1-phenylpropan-2-one.
What is the SMILES notation for 1-cyclopentyl-3-(1,4-diazepan-1-yl)-1-hydroxy-1-phenylpropan-2-one?
The canonical SMILES for 1-cyclopentyl-3-(1,4-diazepan-1-yl)-1-hydroxy-1-phenylpropan-2-one is O=C(CN1CCCNCC1)C(O)(c1ccccc1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(1,4-diazepan-1-yl)-1-hydroxy-1-phenylpropan-2-one?
The InChIKey is DSGFPMYUGOOLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c22-18(15-21-13-6-11-20-12-14-21)19(23,17-9-4-5-10-17)16-7-2-1-3-8-16/h1-3,7-8,17,20,23H,4-6,9-15H2.
What are the key properties of 1-cyclopentyl-3-(1,4-diazepan-1-yl)-1-hydroxy-1-phenylpropan-2-one?
1-cyclopentyl-3-(1,4-diazepan-1-yl)-1-hydroxy-1-phenylpropan-2-one has a molecular weight of 316.44 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1,4-diazepan-1-yl)-1-hydroxy-1-phenylpropan-2-one is sourced from PubChem (CID 11623842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).