[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride

C18H26ClN3O3 — CID 119710613

IUPAC[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride
SMILESCc1cccc(C(=O)N2CCCN(C(=O)C3COCCN3)CC2)c1.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-14-4-2-5-15(12-14)17(22)20-7-3-8-21(10-9-20)18(23)16-13-24-11-6-19-16;/h2,4-5,12,16,19H,3,6-11,13H2,1H3;1H
InChIKeyXLDNTWHSNBFEMI-UHFFFAOYSA-N
MW367.88 g/mol
LogP1.08
Rot. Bonds2

About [4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride

[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride (PubChem CID 119710613) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is [4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride
PubChem CID119710613
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride
SMILESCc1cccc(C(=O)N2CCCN(C(=O)C3COCCN3)CC2)c1.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-14-4-2-5-15(12-14)17(22)20-7-3-8-21(10-9-20)18(23)16-13-24-11-6-19-16;/h2,4-5,12,16,19H,3,6-11,13H2,1H3;1H
InChIKeyXLDNTWHSNBFEMI-UHFFFAOYSA-N
XLogP1.08
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119710339
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119743440
morpholin-3-yl-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone;hydrochloride
CID 119729255
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
N-[3-(morpholine-4-carbonyl)phenyl]morpholine-3-carboxamide
CID 119712313
2-amino-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120786261
(3-bromophenyl)-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 38462694
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 36637274
6-methyl-3-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
CID 87015397
[(3R)-morpholin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 130992240

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride?
The IUPAC name of [4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride (CID 119710613) is [4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride?
The canonical SMILES for [4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride is Cc1cccc(C(=O)N2CCCN(C(=O)C3COCCN3)CC2)c1.Cl.
What is the InChIKey of [4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride?
The InChIKey is XLDNTWHSNBFEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3.ClH/c1-14-4-2-5-15(12-14)17(22)20-7-3-8-21(10-9-20)18(23)16-13-24-11-6-19-16;/h2,4-5,12,16,19H,3,6-11,13H2,1H3;1H.
What are the key properties of [4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride?
[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 119710613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).