1-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-2-morpholin-3-ylethanone

C20H29N3O2 — CID 56902145

IUPAC1-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-2-morpholin-3-ylethanone
SMILESO=C(CC1COCCN1)N1CCCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C20H29N3O2/c24-20(14-18-15-25-11-6-21-18)23-8-3-7-22(9-10-23)19-12-16-4-1-2-5-17(16)13-19/h1-2,4-5,18-19,21H,3,6-15H2
InChIKeyXMMZQBZZIHTKLD-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.07
Rot. Bonds3

About 1-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-2-morpholin-3-ylethanone

1-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-2-morpholin-3-ylethanone (PubChem CID 56902145) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-2-morpholin-3-ylethanone.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-2-morpholin-3-ylethanone
PubChem CID56902145
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-2-morpholin-3-ylethanone
SMILESO=C(CC1COCCN1)N1CCCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C20H29N3O2/c24-20(14-18-15-25-11-6-21-18)23-8-3-7-22(9-10-23)19-12-16-4-1-2-5-17(16)13-19/h1-2,4-5,18-19,21H,3,6-15H2
InChIKeyXMMZQBZZIHTKLD-UHFFFAOYSA-N
XLogP1.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-2-morpholin-3-ylethanone with MolForge

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Related Compounds

1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-2-morpholin-3-ylethanone
CID 70766726
1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
CID 96572481
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
CID 95714397
1-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 95862187
1-(3-hydroxyazetidin-1-yl)-2-morpholin-3-ylethanone
CID 107217537
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-[(3S)-morpholin-3-yl]ethanone
CID 96581347
2-[(3R)-morpholin-3-yl]-1-phenylethanone
CID 95396636
2-morpholin-3-yl-1-phenylethanone
CID 14753828
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone
CID 155917339
4-[1-[2-[(3R)-morpholin-3-yl]acetyl]piperidin-4-yl]oxybenzoic acid
CID 95710502
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
CID 96577888
1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-[[(3R)-morpholin-3-yl]methoxy]ethanone
CID 129384992

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-2-morpholin-3-ylethanone?
The IUPAC name of 1-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-2-morpholin-3-ylethanone (CID 56902145) is 1-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-2-morpholin-3-ylethanone.
What is the SMILES notation for 1-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-2-morpholin-3-ylethanone?
The canonical SMILES for 1-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-2-morpholin-3-ylethanone is O=C(CC1COCCN1)N1CCCN(C2Cc3ccccc3C2)CC1.
What is the InChIKey of 1-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-2-morpholin-3-ylethanone?
The InChIKey is XMMZQBZZIHTKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-20(14-18-15-25-11-6-21-18)23-8-3-7-22(9-10-23)19-12-16-4-1-2-5-17(16)13-19/h1-2,4-5,18-19,21H,3,6-15H2.
What are the key properties of 1-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-2-morpholin-3-ylethanone?
1-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-2-morpholin-3-ylethanone has a molecular weight of 343.47 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-2-morpholin-3-ylethanone is sourced from PubChem (CID 56902145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).