(3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone

C14H20N2O2 — CID 82244663

IUPAC(3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCNC(C)CC2)c1
InChIInChI=1S/C14H20N2O2/c1-11-6-8-16(9-7-15-11)14(17)12-4-3-5-13(10-12)18-2/h3-5,10-11,15H,6-9H2,1-2H3
InChIKeyZLWZAYNRPQZNKT-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.52
Rot. Bonds2

About (3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone

(3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 82244663) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
PubChem CID82244663
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCNC(C)CC2)c1
InChIInChI=1S/C14H20N2O2/c1-11-6-8-16(9-7-15-11)14(17)12-4-3-5-13(10-12)18-2/h3-5,10-11,15H,6-9H2,1-2H3
InChIKeyZLWZAYNRPQZNKT-UHFFFAOYSA-N
XLogP1.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63874051
[4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 23790808
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
[4-(1-chloroethyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 106838977
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
4-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzonitrile
CID 38046638
1-[1-(3-methoxybenzoyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 134794616
[4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 7344322
(3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
CID 119930350
[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 2912264
(3-methoxyphenyl)-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone
CID 113079051

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone (CID 82244663) is (3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone is COc1cccc(C(=O)N2CCNC(C)CC2)c1.
What is the InChIKey of (3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is ZLWZAYNRPQZNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-6-8-16(9-7-15-11)14(17)12-4-3-5-13(10-12)18-2/h3-5,10-11,15H,6-9H2,1-2H3.
What are the key properties of (3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone?
(3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 82244663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).