2-amino-1-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride

C16H22Cl2FN3O2 — CID 119316419

IUPAC2-amino-1-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
SMILESCCCC(N)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1.Cl
InChIInChI=1S/C16H21ClFN3O2.ClH/c1-2-3-14(19)16(23)21-8-6-20(7-9-21)15(22)12-5-4-11(17)10-13(12)18;/h4-5,10,14H,2-3,6-9,19H2,1H3;1H
InChIKeyYMVQHSJKRUJRQS-UHFFFAOYSA-N
MW378.28 g/mol
LogP2.31
Rot. Bonds4

About 2-amino-1-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride

2-amino-1-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride (PubChem CID 119316419) has the molecular formula C16H22Cl2FN3O2 and a molecular weight of 378.28 g/mol. Its IUPAC name is 2-amino-1-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
PubChem CID119316419
Molecular FormulaC16H22Cl2FN3O2
Molecular Weight378.28 g/mol
Exact Mass377.11
IUPAC Name2-amino-1-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
SMILESCCCC(N)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1.Cl
InChIInChI=1S/C16H21ClFN3O2.ClH/c1-2-3-14(19)16(23)21-8-6-20(7-9-21)15(22)12-5-4-11(17)10-13(12)18;/h4-5,10,14H,2-3,6-9,19H2,1H3;1H
InChIKeyYMVQHSJKRUJRQS-UHFFFAOYSA-N
XLogP2.31
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride with MolForge

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Related Compounds

2-amino-1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 119316335
2-amino-1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pentan-1-one
CID 119281994
2-amino-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]pentan-1-one
CID 119307835
3-amino-1-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119771313
2-amino-1-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pentan-1-one
CID 119302778
2-amino-1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120988690
2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 119300870
2-amino-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pentan-1-one
CID 75418356
2-amino-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120988113
2-amino-1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]pentan-1-one
CID 119838955
[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119934207
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 108569544

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride (CID 119316419) is 2-amino-1-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride is CCCC(N)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1.Cl.
What is the InChIKey of 2-amino-1-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride?
The InChIKey is YMVQHSJKRUJRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFN3O2.ClH/c1-2-3-14(19)16(23)21-8-6-20(7-9-21)15(22)12-5-4-11(17)10-13(12)18;/h4-5,10,14H,2-3,6-9,19H2,1H3;1H.
What are the key properties of 2-amino-1-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride?
2-amino-1-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride has a molecular weight of 378.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride is sourced from PubChem (CID 119316419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).