1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-5,6-dihydrobenzo[b][1]benzazepin-11-yl]-2-piperidin-1-ylethanone

C24H27N5O2 — CID 130314342

IUPAC1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-5,6-dihydrobenzo[b][1]benzazepin-11-yl]-2-piperidin-1-ylethanone
SMILESCc1nnc(Nc2ccc3c(c2)N(C(=O)CN2CCCCC2)c2ccccc2CC3)o1
InChIInChI=1S/C24H27N5O2/c1-17-26-27-24(31-17)25-20-12-11-19-10-9-18-7-3-4-8-21(18)29(22(19)15-20)23(30)16-28-13-5-2-6-14-28/h3-4,7-8,11-12,15H,2,5-6,9-10,13-14,16H2,1H3,(H,25,27)
InChIKeyUVEGBULEYWGVKU-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.37
Rot. Bonds4

About 1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-5,6-dihydrobenzo[b][1]benzazepin-11-yl]-2-piperidin-1-ylethanone

1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-5,6-dihydrobenzo[b][1]benzazepin-11-yl]-2-piperidin-1-ylethanone (PubChem CID 130314342) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-5,6-dihydrobenzo[b][1]benzazepin-11-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-5,6-dihydrobenzo[b][1]benzazepin-11-yl]-2-piperidin-1-ylethanone
PubChem CID130314342
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-5,6-dihydrobenzo[b][1]benzazepin-11-yl]-2-piperidin-1-ylethanone
SMILESCc1nnc(Nc2ccc3c(c2)N(C(=O)CN2CCCCC2)c2ccccc2CC3)o1
InChIInChI=1S/C24H27N5O2/c1-17-26-27-24(31-17)25-20-12-11-19-10-9-18-7-3-4-8-21(18)29(22(19)15-20)23(30)16-28-13-5-2-6-14-28/h3-4,7-8,11-12,15H,2,5-6,9-10,13-14,16H2,1H3,(H,25,27)
InChIKeyUVEGBULEYWGVKU-UHFFFAOYSA-N
XLogP4.37
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-5,6-dihydrobenzo[b][1]benzazepin-11-yl]-2-piperidin-1-ylethanone with MolForge

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Related Compounds

ethyl N-[11-(3-piperidin-1-ylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
CID 1129898
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-morpholin-4-ylethanone
CID 777342
2-pyrrol-1-yl-1-[2-(pyrrol-1-ylmethylamino)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanone
CID 130317895
ethyl N-(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)carbamate
CID 110168366
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethanone chloride
CID 44658121
3,4,5-trimethoxy-N-[11-[2-(4-methylpiperazin-1-yl)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]benzamide;dihydrochloride
CID 44660576
1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-piperidin-1-ylpropan-1-one
CID 89190365
1-[2-(methoxymethylamino)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]-3-morpholin-4-ylpropan-1-one
CID 130318043
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119928044
ethyl N-[11-[2-(2,5-dioxopyrrol-1-yl)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
CID 127027107
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
CID 1072399
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110333640

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-5,6-dihydrobenzo[b][1]benzazepin-11-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-5,6-dihydrobenzo[b][1]benzazepin-11-yl]-2-piperidin-1-ylethanone (CID 130314342) is 1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-5,6-dihydrobenzo[b][1]benzazepin-11-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-5,6-dihydrobenzo[b][1]benzazepin-11-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-5,6-dihydrobenzo[b][1]benzazepin-11-yl]-2-piperidin-1-ylethanone is Cc1nnc(Nc2ccc3c(c2)N(C(=O)CN2CCCCC2)c2ccccc2CC3)o1.
What is the InChIKey of 1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-5,6-dihydrobenzo[b][1]benzazepin-11-yl]-2-piperidin-1-ylethanone?
The InChIKey is UVEGBULEYWGVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-17-26-27-24(31-17)25-20-12-11-19-10-9-18-7-3-4-8-21(18)29(22(19)15-20)23(30)16-28-13-5-2-6-14-28/h3-4,7-8,11-12,15H,2,5-6,9-10,13-14,16H2,1H3,(H,25,27).
What are the key properties of 1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-5,6-dihydrobenzo[b][1]benzazepin-11-yl]-2-piperidin-1-ylethanone?
1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-5,6-dihydrobenzo[b][1]benzazepin-11-yl]-2-piperidin-1-ylethanone has a molecular weight of 417.51 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-5,6-dihydrobenzo[b][1]benzazepin-11-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 130314342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).