[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-morpholin-2-ylmethanone;hydrochloride

C17H23Cl2N3O3 — CID 119747817

IUPAC[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-morpholin-2-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccc(Cl)cc1)N1CCCN(C(=O)C2CNCCO2)CC1
InChIInChI=1S/C17H22ClN3O3.ClH/c18-14-4-2-13(3-5-14)16(22)20-7-1-8-21(10-9-20)17(23)15-12-19-6-11-24-15;/h2-5,15,19H,1,6-12H2;1H
InChIKeyRVKNARFBIFJFIB-UHFFFAOYSA-N
MW388.30 g/mol
LogP1.42
Rot. Bonds2

About [4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-morpholin-2-ylmethanone;hydrochloride

[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-morpholin-2-ylmethanone;hydrochloride (PubChem CID 119747817) has the molecular formula C17H23Cl2N3O3 and a molecular weight of 388.30 g/mol. Its IUPAC name is [4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-morpholin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-morpholin-2-ylmethanone;hydrochloride
PubChem CID119747817
Molecular FormulaC17H23Cl2N3O3
Molecular Weight388.30 g/mol
Exact Mass387.11
IUPAC Name[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-morpholin-2-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccc(Cl)cc1)N1CCCN(C(=O)C2CNCCO2)CC1
InChIInChI=1S/C17H22ClN3O3.ClH/c18-14-4-2-13(3-5-14)16(22)20-7-1-8-21(10-9-20)17(23)15-12-19-6-11-24-15;/h2-5,15,19H,1,6-12H2;1H
InChIKeyRVKNARFBIFJFIB-UHFFFAOYSA-N
XLogP1.42
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-morpholin-2-ylmethanone;hydrochloride with MolForge

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Related Compounds

morpholin-2-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119738862
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119720695
morpholin-2-yl(piperidin-1-yl)methanone;hydrochloride
CID 71298615
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119848066
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119756657
[4-(furan-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119673067
[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797025
[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119745412
[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride
CID 119747793
[4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119887901
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-2-ylmethanone
CID 119839942
morpholin-2-yl-(4-propyl-1,4-diazepan-1-yl)methanone
CID 131911390

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-morpholin-2-ylmethanone;hydrochloride?
The IUPAC name of [4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-morpholin-2-ylmethanone;hydrochloride (CID 119747817) is [4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-morpholin-2-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-morpholin-2-ylmethanone;hydrochloride?
The canonical SMILES for [4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-morpholin-2-ylmethanone;hydrochloride is Cl.O=C(c1ccc(Cl)cc1)N1CCCN(C(=O)C2CNCCO2)CC1.
What is the InChIKey of [4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-morpholin-2-ylmethanone;hydrochloride?
The InChIKey is RVKNARFBIFJFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3.ClH/c18-14-4-2-13(3-5-14)16(22)20-7-1-8-21(10-9-20)17(23)15-12-19-6-11-24-15;/h2-5,15,19H,1,6-12H2;1H.
What are the key properties of [4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-morpholin-2-ylmethanone;hydrochloride?
[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-morpholin-2-ylmethanone;hydrochloride has a molecular weight of 388.30 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-morpholin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119747817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).