(4-methyl-1,4-diazepan-1-yl)-(4-quinolin-6-yloxypiperidin-4-yl)methanone

C21H28N4O2 — CID 70758910

IUPAC(4-methyl-1,4-diazepan-1-yl)-(4-quinolin-6-yloxypiperidin-4-yl)methanone
SMILESCN1CCCN(C(=O)C2(Oc3ccc4ncccc4c3)CCNCC2)CC1
InChIInChI=1S/C21H28N4O2/c1-24-12-3-13-25(15-14-24)20(26)21(7-10-22-11-8-21)27-18-5-6-19-17(16-18)4-2-9-23-19/h2,4-6,9,16,22H,3,7-8,10-15H2,1H3
InChIKeyDXISAWDGHXPSND-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.90
Rot. Bonds3

About (4-methyl-1,4-diazepan-1-yl)-(4-quinolin-6-yloxypiperidin-4-yl)methanone

(4-methyl-1,4-diazepan-1-yl)-(4-quinolin-6-yloxypiperidin-4-yl)methanone (PubChem CID 70758910) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (4-methyl-1,4-diazepan-1-yl)-(4-quinolin-6-yloxypiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-methyl-1,4-diazepan-1-yl)-(4-quinolin-6-yloxypiperidin-4-yl)methanone
PubChem CID70758910
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name(4-methyl-1,4-diazepan-1-yl)-(4-quinolin-6-yloxypiperidin-4-yl)methanone
SMILESCN1CCCN(C(=O)C2(Oc3ccc4ncccc4c3)CCNCC2)CC1
InChIInChI=1S/C21H28N4O2/c1-24-12-3-13-25(15-14-24)20(26)21(7-10-22-11-8-21)27-18-5-6-19-17(16-18)4-2-9-23-19/h2,4-6,9,16,22H,3,7-8,10-15H2,1H3
InChIKeyDXISAWDGHXPSND-UHFFFAOYSA-N
XLogP1.90
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,4-diazepan-1-yl)-(4-quinolin-6-yloxypiperidin-4-yl)methanone?
The IUPAC name of (4-methyl-1,4-diazepan-1-yl)-(4-quinolin-6-yloxypiperidin-4-yl)methanone (CID 70758910) is (4-methyl-1,4-diazepan-1-yl)-(4-quinolin-6-yloxypiperidin-4-yl)methanone.
What is the SMILES notation for (4-methyl-1,4-diazepan-1-yl)-(4-quinolin-6-yloxypiperidin-4-yl)methanone?
The canonical SMILES for (4-methyl-1,4-diazepan-1-yl)-(4-quinolin-6-yloxypiperidin-4-yl)methanone is CN1CCCN(C(=O)C2(Oc3ccc4ncccc4c3)CCNCC2)CC1.
What is the InChIKey of (4-methyl-1,4-diazepan-1-yl)-(4-quinolin-6-yloxypiperidin-4-yl)methanone?
The InChIKey is DXISAWDGHXPSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-24-12-3-13-25(15-14-24)20(26)21(7-10-22-11-8-21)27-18-5-6-19-17(16-18)4-2-9-23-19/h2,4-6,9,16,22H,3,7-8,10-15H2,1H3.
What are the key properties of (4-methyl-1,4-diazepan-1-yl)-(4-quinolin-6-yloxypiperidin-4-yl)methanone?
(4-methyl-1,4-diazepan-1-yl)-(4-quinolin-6-yloxypiperidin-4-yl)methanone has a molecular weight of 368.48 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,4-diazepan-1-yl)-(4-quinolin-6-yloxypiperidin-4-yl)methanone is sourced from PubChem (CID 70758910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).