(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone

C14H20N2O2 — CID 6467901

IUPAC(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCN(C)CC2)cc1
InChIInChI=1S/C14H20N2O2/c1-15-8-3-9-16(11-10-15)14(17)12-4-6-13(18-2)7-5-12/h4-7H,3,8-11H2,1-2H3
InChIKeyGGBOEBZFXBGDIS-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.47
Rot. Bonds2

About (4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone

(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 6467901) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID6467901
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCN(C)CC2)cc1
InChIInChI=1S/C14H20N2O2/c1-15-8-3-9-16(11-10-15)14(17)12-4-6-13(18-2)7-5-12/h4-7H,3,8-11H2,1-2H3
InChIKeyGGBOEBZFXBGDIS-UHFFFAOYSA-N
XLogP1.47
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
(4-methoxyphenyl)-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808183
(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152974
(4-methoxyphenyl) 4-methyl-1,4-diazepane-1-carboxylate
CID 89421681
(4-iodophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 60628706
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
N-(cyclopropylmethyl)-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide
CID 23938280
(2-amino-5-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 54878519
(4-methoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798519
[4-(4-fluoro-3-methylbenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110808179

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone (CID 6467901) is (4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone is COc1ccc(C(=O)N2CCCN(C)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is GGBOEBZFXBGDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-8-3-9-16(11-10-15)14(17)12-4-6-13(18-2)7-5-12/h4-7H,3,8-11H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone?
(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 6467901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).