4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-(piperidin-1-ylmethyl)-1,4-oxazepane

C18H32N4O2 — CID 77092818

IUPAC4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-(piperidin-1-ylmethyl)-1,4-oxazepane
SMILESCOCCn1ccnc1CN1CCCOC(CN2CCCCC2)C1
InChIInChI=1S/C18H32N4O2/c1-23-13-11-22-10-6-19-18(22)16-21-9-5-12-24-17(15-21)14-20-7-3-2-4-8-20/h6,10,17H,2-5,7-9,11-16H2,1H3
InChIKeyWIRXANPXBIVWBM-UHFFFAOYSA-N
MW336.48 g/mol
LogP1.61
Rot. Bonds7

About 4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-(piperidin-1-ylmethyl)-1,4-oxazepane

4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-(piperidin-1-ylmethyl)-1,4-oxazepane (PubChem CID 77092818) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-(piperidin-1-ylmethyl)-1,4-oxazepane.

Molecular Properties

Compound Name4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-(piperidin-1-ylmethyl)-1,4-oxazepane
PubChem CID77092818
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-(piperidin-1-ylmethyl)-1,4-oxazepane
SMILESCOCCn1ccnc1CN1CCCOC(CN2CCCCC2)C1
InChIInChI=1S/C18H32N4O2/c1-23-13-11-22-10-6-19-18(22)16-21-9-5-12-24-17(15-21)14-20-7-3-2-4-8-20/h6,10,17H,2-5,7-9,11-16H2,1H3
InChIKeyWIRXANPXBIVWBM-UHFFFAOYSA-N
XLogP1.61
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole
CID 99929250
1-(2-methoxyethyl)-2-[(3-phenoxypyrrolidin-1-yl)methyl]imidazole
CID 131920287
(5S)-9-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 99932500
4-[4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepane-1-carbonyl]-1-methylpyrrolidin-2-one
CID 134705172
(2R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(piperidin-1-ylmethyl)-1,4-oxazepane
CID 99926715
(3S,4S)-4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-ol
CID 50959319
4-[(2,3-difluoro-6-methoxyphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
CID 77089940
(1-methylimidazol-2-yl)-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 99945320
(3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine
CID 72912402
(2R)-4-[6-(methoxymethyl)pyrimidin-4-yl]-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
CID 97187396
4-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-2-(piperidin-1-ylmethyl)-1,4-oxazepane
CID 74239957
4-cyclopropyl-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 156603463

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-(piperidin-1-ylmethyl)-1,4-oxazepane?
The IUPAC name of 4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-(piperidin-1-ylmethyl)-1,4-oxazepane (CID 77092818) is 4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-(piperidin-1-ylmethyl)-1,4-oxazepane.
What is the SMILES notation for 4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-(piperidin-1-ylmethyl)-1,4-oxazepane?
The canonical SMILES for 4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-(piperidin-1-ylmethyl)-1,4-oxazepane is COCCn1ccnc1CN1CCCOC(CN2CCCCC2)C1.
What is the InChIKey of 4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-(piperidin-1-ylmethyl)-1,4-oxazepane?
The InChIKey is WIRXANPXBIVWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-23-13-11-22-10-6-19-18(22)16-21-9-5-12-24-17(15-21)14-20-7-3-2-4-8-20/h6,10,17H,2-5,7-9,11-16H2,1H3.
What are the key properties of 4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-(piperidin-1-ylmethyl)-1,4-oxazepane?
4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-(piperidin-1-ylmethyl)-1,4-oxazepane has a molecular weight of 336.48 g/mol, XLogP of 1.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-(piperidin-1-ylmethyl)-1,4-oxazepane is sourced from PubChem (CID 77092818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).