4-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride

C17H25ClFN3O2 — CID 120559897

IUPAC4-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
SMILESCC(N)CCC(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C17H24FN3O2.ClH/c1-13(19)3-8-16(22)20-9-2-10-21(12-11-20)17(23)14-4-6-15(18)7-5-14;/h4-7,13H,2-3,8-12,19H2,1H3;1H
InChIKeyOGRQWRLJOHRLAD-UHFFFAOYSA-N
MW357.86 g/mol
LogP2.05
Rot. Bonds4

About 4-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride

4-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride (PubChem CID 120559897) has the molecular formula C17H25ClFN3O2 and a molecular weight of 357.86 g/mol. Its IUPAC name is 4-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride.

Molecular Properties

Compound Name4-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
PubChem CID120559897
Molecular FormulaC17H25ClFN3O2
Molecular Weight357.86 g/mol
Exact Mass357.16
IUPAC Name4-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
SMILESCC(N)CCC(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C17H24FN3O2.ClH/c1-13(19)3-8-16(22)20-9-2-10-21(12-11-20)17(23)14-4-6-15(18)7-5-14;/h4-7,13H,2-3,8-12,19H2,1H3;1H
InChIKeyOGRQWRLJOHRLAD-UHFFFAOYSA-N
XLogP2.05
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.86
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride with MolForge

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Related Compounds

(2S)-2-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119282099
4-amino-1-[4-(4-nitrobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120563235
ethyl 4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798379
4-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120559709
4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120565643
4-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pentan-1-one
CID 120559752
4-amino-1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one;dihydrochloride
CID 120564928
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 108533747
2-(cyclopropylmethylamino)-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119710361
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119710383
1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one
CID 78848555
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-(4-fluorophenyl)-2-methylpropan-1-one
CID 167757594

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride?
The IUPAC name of 4-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride (CID 120559897) is 4-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride.
What is the SMILES notation for 4-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride?
The canonical SMILES for 4-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride is CC(N)CCC(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1.Cl.
What is the InChIKey of 4-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride?
The InChIKey is OGRQWRLJOHRLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2.ClH/c1-13(19)3-8-16(22)20-9-2-10-21(12-11-20)17(23)14-4-6-15(18)7-5-14;/h4-7,13H,2-3,8-12,19H2,1H3;1H.
What are the key properties of 4-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride?
4-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride has a molecular weight of 357.86 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride is sourced from PubChem (CID 120559897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).