2-phenylmethoxy-1-[5-(3-piperidin-1-ylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone

C22H33N3O2 — CID 91495887

IUPAC2-phenylmethoxy-1-[5-(3-piperidin-1-ylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
SMILESO=C(COCc1ccccc1)N1CC2CC1CN2CCCN1CCCCC1
InChIInChI=1S/C22H33N3O2/c26-22(18-27-17-19-8-3-1-4-9-19)25-16-20-14-21(25)15-24(20)13-7-12-23-10-5-2-6-11-23/h1,3-4,8-9,20-21H,2,5-7,10-18H2
InChIKeyUGYTXKORRAYTAS-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.36
Rot. Bonds8

About 2-phenylmethoxy-1-[5-(3-piperidin-1-ylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone

2-phenylmethoxy-1-[5-(3-piperidin-1-ylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone (PubChem CID 91495887) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-phenylmethoxy-1-[5-(3-piperidin-1-ylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone.

Molecular Properties

Compound Name2-phenylmethoxy-1-[5-(3-piperidin-1-ylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
PubChem CID91495887
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name2-phenylmethoxy-1-[5-(3-piperidin-1-ylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
SMILESO=C(COCc1ccccc1)N1CC2CC1CN2CCCN1CCCCC1
InChIInChI=1S/C22H33N3O2/c26-22(18-27-17-19-8-3-1-4-9-19)25-16-20-14-21(25)15-24(20)13-7-12-23-10-5-2-6-11-23/h1,3-4,8-9,20-21H,2,5-7,10-18H2
InChIKeyUGYTXKORRAYTAS-UHFFFAOYSA-N
XLogP2.36
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-phenylmethoxy-1-[5-(3-piperidin-1-ylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone with MolForge

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Related Compounds

1-(azepan-1-yl)-2-phenylmethoxyethanone
CID 60646013
2-phenylmethoxy-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 94819194
1-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 128989732
(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-(1-butylpiperidin-4-yl)methanone
CID 21135945
(3R)-1,3-dimethyl-4-(2-phenylmethoxyacetyl)piperazin-2-one
CID 95197684
(2S,4R)-4-fluoro-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxamide
CID 120965400
bis((Z)-but-2-enedioic acid);2-(4-methylphenyl)sulfonyl-5-(3-piperidin-1-ylpropyl)-2,5-diazabicyclo[2.2.1]heptane
CID 50896346
1-(2-phenylmethoxyacetyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 156611876
1-(6-phenylmethoxyhexyl)piperidine-4-carboxamide
CID 139907384
1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine
CID 10732658
1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone
CID 43416001
(1R,4R)-5-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid
CID 174241310

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-1-[5-(3-piperidin-1-ylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone?
The IUPAC name of 2-phenylmethoxy-1-[5-(3-piperidin-1-ylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone (CID 91495887) is 2-phenylmethoxy-1-[5-(3-piperidin-1-ylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone.
What is the SMILES notation for 2-phenylmethoxy-1-[5-(3-piperidin-1-ylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone?
The canonical SMILES for 2-phenylmethoxy-1-[5-(3-piperidin-1-ylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone is O=C(COCc1ccccc1)N1CC2CC1CN2CCCN1CCCCC1.
What is the InChIKey of 2-phenylmethoxy-1-[5-(3-piperidin-1-ylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone?
The InChIKey is UGYTXKORRAYTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c26-22(18-27-17-19-8-3-1-4-9-19)25-16-20-14-21(25)15-24(20)13-7-12-23-10-5-2-6-11-23/h1,3-4,8-9,20-21H,2,5-7,10-18H2.
What are the key properties of 2-phenylmethoxy-1-[5-(3-piperidin-1-ylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone?
2-phenylmethoxy-1-[5-(3-piperidin-1-ylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone has a molecular weight of 371.53 g/mol, XLogP of 2.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-1-[5-(3-piperidin-1-ylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone is sourced from PubChem (CID 91495887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).