2-(oxolan-2-ylmethoxy)-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone

C17H25N3O3 — CID 136531026

IUPAC2-(oxolan-2-ylmethoxy)-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
SMILESO=C(COCC1CCCO1)N1CCCN(c2ccccn2)CC1
InChIInChI=1S/C17H25N3O3/c21-17(14-22-13-15-5-3-12-23-15)20-9-4-8-19(10-11-20)16-6-1-2-7-18-16/h1-2,6-7,15H,3-5,8-14H2
InChIKeyKQKDXLXMWGIOHH-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.32
Rot. Bonds5

About 2-(oxolan-2-ylmethoxy)-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone

2-(oxolan-2-ylmethoxy)-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone (PubChem CID 136531026) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethoxy)-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-(oxolan-2-ylmethoxy)-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
PubChem CID136531026
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name2-(oxolan-2-ylmethoxy)-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
SMILESO=C(COCC1CCCO1)N1CCCN(c2ccccn2)CC1
InChIInChI=1S/C17H25N3O3/c21-17(14-22-13-15-5-3-12-23-15)20-9-4-8-19(10-11-20)16-6-1-2-7-18-16/h1-2,6-7,15H,3-5,8-14H2
InChIKeyKQKDXLXMWGIOHH-UHFFFAOYSA-N
XLogP1.32
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 92576430
1-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 97128511
1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 99971048
4-oxo-N-(oxolan-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 3248343
1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 95882648
N'-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219669
2-[[4-(oxolan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 17431880
N-(oxolan-2-ylmethyl)-2-[1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclopentyl]acetamide
CID 45147062
1-(4-naphthalen-2-ylpiperazin-1-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone
CID 97147496
(2R)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
CID 95100125
9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97120006
1-(oxolan-2-ylmethyl)-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]urea
CID 91812788

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethoxy)-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone?
The IUPAC name of 2-(oxolan-2-ylmethoxy)-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone (CID 136531026) is 2-(oxolan-2-ylmethoxy)-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone.
What is the SMILES notation for 2-(oxolan-2-ylmethoxy)-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone?
The canonical SMILES for 2-(oxolan-2-ylmethoxy)-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone is O=C(COCC1CCCO1)N1CCCN(c2ccccn2)CC1.
What is the InChIKey of 2-(oxolan-2-ylmethoxy)-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone?
The InChIKey is KQKDXLXMWGIOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c21-17(14-22-13-15-5-3-12-23-15)20-9-4-8-19(10-11-20)16-6-1-2-7-18-16/h1-2,6-7,15H,3-5,8-14H2.
What are the key properties of 2-(oxolan-2-ylmethoxy)-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone?
2-(oxolan-2-ylmethoxy)-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone has a molecular weight of 319.40 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethoxy)-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone is sourced from PubChem (CID 136531026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).