(2R,6R)-4-(8-bromoquinolin-5-yl)-6-methyl-N-(1-methylpiperidin-4-yl)morpholine-2-carboxamide;(2R,6R)-4-(8-bromoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;1-methylpiperidin-4-amine

C42H56Br2N8O5 — CID 167702253

IUPAC(2R,6R)-4-(8-bromoquinolin-5-yl)-6-methyl-N-(1-methylpiperidin-4-yl)morpholine-2-carboxamide;(2R,6R)-4-(8-bromoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;1-methylpiperidin-4-amine
SMILESCN1CCC(N)CC1.C[C@@H]1CN(c2ccc(Br)c3ncccc23)C[C@H](C(=O)NC2CCN(C)CC2)O1.C[C@@H]1CN(c2ccc(Br)c3ncccc23)C[C@H](C(=O)O)O1
InChIInChI=1S/C21H27BrN4O2.C15H15BrN2O3.C6H14N2/c1-14-12-26(18-6-5-17(22)20-16(18)4-3-9-23-20)13-19(28-14)21(27)24-15-7-10-25(2)11-8-15;1-9-7-18(8-13(21-9)15(19)20)12-5-4-11(16)14-10(12)3-2-6-17-14;1-8-4-2-6(7)3-5-8/h3-6,9,14-15,19H,7-8,10-13H2,1-2H3,(H,24,27);2-6,9,13H,7-8H2,1H3,(H,19,20);6H,2-5,7H2,1H3/t14-,19-;9-,13-;/m11./s1
InChIKeyYOLYCPJLTQHBGX-CAOYBIHRSA-N
MW912.77 g/mol
LogP5.52
Rot. Bonds5

About (2R,6R)-4-(8-bromoquinolin-5-yl)-6-methyl-N-(1-methylpiperidin-4-yl)morpholine-2-carboxamide;(2R,6R)-4-(8-bromoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;1-methylpiperidin-4-amine

(2R,6R)-4-(8-bromoquinolin-5-yl)-6-methyl-N-(1-methylpiperidin-4-yl)morpholine-2-carboxamide;(2R,6R)-4-(8-bromoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;1-methylpiperidin-4-amine (PubChem CID 167702253) has the molecular formula C42H56Br2N8O5 and a molecular weight of 912.77 g/mol. Its IUPAC name is (2R,6R)-4-(8-bromoquinolin-5-yl)-6-methyl-N-(1-methylpiperidin-4-yl)morpholine-2-carboxamide;(2R,6R)-4-(8-bromoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;1-methylpiperidin-4-amine.

Molecular Properties

Compound Name(2R,6R)-4-(8-bromoquinolin-5-yl)-6-methyl-N-(1-methylpiperidin-4-yl)morpholine-2-carboxamide;(2R,6R)-4-(8-bromoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;1-methylpiperidin-4-amine
PubChem CID167702253
Molecular FormulaC42H56Br2N8O5
Molecular Weight912.77 g/mol
Exact Mass910.27
IUPAC Name(2R,6R)-4-(8-bromoquinolin-5-yl)-6-methyl-N-(1-methylpiperidin-4-yl)morpholine-2-carboxamide;(2R,6R)-4-(8-bromoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;1-methylpiperidin-4-amine
SMILESCN1CCC(N)CC1.C[C@@H]1CN(c2ccc(Br)c3ncccc23)C[C@H](C(=O)NC2CCN(C)CC2)O1.C[C@@H]1CN(c2ccc(Br)c3ncccc23)C[C@H](C(=O)O)O1
InChIInChI=1S/C21H27BrN4O2.C15H15BrN2O3.C6H14N2/c1-14-12-26(18-6-5-17(22)20-16(18)4-3-9-23-20)13-19(28-14)21(27)24-15-7-10-25(2)11-8-15;1-9-7-18(8-13(21-9)15(19)20)12-5-4-11(16)14-10(12)3-2-6-17-14;1-8-4-2-6(7)3-5-8/h3-6,9,14-15,19H,7-8,10-13H2,1-2H3,(H,24,27);2-6,9,13H,7-8H2,1H3,(H,19,20);6H,2-5,7H2,1H3/t14-,19-;9-,13-;/m11./s1
InChIKeyYOLYCPJLTQHBGX-CAOYBIHRSA-N
XLogP5.52
TPSA149.62 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500912.77
LogP ≤ 55.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze (2R,6R)-4-(8-bromoquinolin-5-yl)-6-methyl-N-(1-methylpiperidin-4-yl)morpholine-2-carboxamide;(2R,6R)-4-(8-bromoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;1-methylpiperidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-(8-bromoquinolin-5-yl)-6-methyl-N-(1-methylpiperidin-4-yl)morpholine-2-carboxamide;(2R,6R)-4-(8-bromoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;1-methylpiperidin-4-amine?
The IUPAC name of (2R,6R)-4-(8-bromoquinolin-5-yl)-6-methyl-N-(1-methylpiperidin-4-yl)morpholine-2-carboxamide;(2R,6R)-4-(8-bromoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;1-methylpiperidin-4-amine (CID 167702253) is (2R,6R)-4-(8-bromoquinolin-5-yl)-6-methyl-N-(1-methylpiperidin-4-yl)morpholine-2-carboxamide;(2R,6R)-4-(8-bromoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;1-methylpiperidin-4-amine.
What is the SMILES notation for (2R,6R)-4-(8-bromoquinolin-5-yl)-6-methyl-N-(1-methylpiperidin-4-yl)morpholine-2-carboxamide;(2R,6R)-4-(8-bromoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;1-methylpiperidin-4-amine?
The canonical SMILES for (2R,6R)-4-(8-bromoquinolin-5-yl)-6-methyl-N-(1-methylpiperidin-4-yl)morpholine-2-carboxamide;(2R,6R)-4-(8-bromoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;1-methylpiperidin-4-amine is CN1CCC(N)CC1.C[C@@H]1CN(c2ccc(Br)c3ncccc23)C[C@H](C(=O)NC2CCN(C)CC2)O1.C[C@@H]1CN(c2ccc(Br)c3ncccc23)C[C@H](C(=O)O)O1.
What is the InChIKey of (2R,6R)-4-(8-bromoquinolin-5-yl)-6-methyl-N-(1-methylpiperidin-4-yl)morpholine-2-carboxamide;(2R,6R)-4-(8-bromoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;1-methylpiperidin-4-amine?
The InChIKey is YOLYCPJLTQHBGX-CAOYBIHRSA-N. The full InChI is InChI=1S/C21H27BrN4O2.C15H15BrN2O3.C6H14N2/c1-14-12-26(18-6-5-17(22)20-16(18)4-3-9-23-20)13-19(28-14)21(27)24-15-7-10-25(2)11-8-15;1-9-7-18(8-13(21-9)15(19)20)12-5-4-11(16)14-10(12)3-2-6-17-14;1-8-4-2-6(7)3-5-8/h3-6,9,14-15,19H,7-8,10-13H2,1-2H3,(H,24,27);2-6,9,13H,7-8H2,1H3,(H,19,20);6H,2-5,7H2,1H3/t14-,19-;9-,13-;/m11./s1.
What are the key properties of (2R,6R)-4-(8-bromoquinolin-5-yl)-6-methyl-N-(1-methylpiperidin-4-yl)morpholine-2-carboxamide;(2R,6R)-4-(8-bromoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;1-methylpiperidin-4-amine?
(2R,6R)-4-(8-bromoquinolin-5-yl)-6-methyl-N-(1-methylpiperidin-4-yl)morpholine-2-carboxamide;(2R,6R)-4-(8-bromoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;1-methylpiperidin-4-amine has a molecular weight of 912.77 g/mol, XLogP of 5.52, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-(8-bromoquinolin-5-yl)-6-methyl-N-(1-methylpiperidin-4-yl)morpholine-2-carboxamide;(2R,6R)-4-(8-bromoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;1-methylpiperidin-4-amine is sourced from PubChem (CID 167702253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).