N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride

C19H29ClFN3O2 — CID 120736036

IUPACN-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(C)C(=O)NCCCC(=O)N1CCNCC1c1cccc(F)c1.Cl
InChIInChI=1S/C19H28FN3O2.ClH/c1-19(2,3)18(25)22-9-5-8-17(24)23-11-10-21-13-16(23)14-6-4-7-15(20)12-14;/h4,6-7,12,16,21H,5,8-11,13H2,1-3H3,(H,22,25);1H
InChIKeyHSGXYOHPVCCYQP-UHFFFAOYSA-N
MW385.91 g/mol
LogP2.66
Rot. Bonds5

About N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride

N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride (PubChem CID 120736036) has the molecular formula C19H29ClFN3O2 and a molecular weight of 385.91 g/mol. Its IUPAC name is N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride
PubChem CID120736036
Molecular FormulaC19H29ClFN3O2
Molecular Weight385.91 g/mol
Exact Mass385.19
IUPAC NameN-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(C)C(=O)NCCCC(=O)N1CCNCC1c1cccc(F)c1.Cl
InChIInChI=1S/C19H28FN3O2.ClH/c1-19(2,3)18(25)22-9-5-8-17(24)23-11-10-21-13-16(23)14-6-4-7-15(20)12-14;/h4,6-7,12,16,21H,5,8-11,13H2,1-3H3,(H,22,25);1H
InChIKeyHSGXYOHPVCCYQP-UHFFFAOYSA-N
XLogP2.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.91
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]benzamide
CID 120737378
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride
CID 120737437
5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide
CID 120737953
4-fluoro-N-[3-[2-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 120737596
1-[2-(3-fluorophenyl)piperazin-1-yl]-4-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 120737651
2,2-dimethyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]propanamide
CID 120731122
5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide
CID 120736864
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 120737290
2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120736006
1-[2-(3-fluorophenyl)piperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione
CID 120737260
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide
CID 120736914
[5-[2-(3-chlorophenyl)piperazin-1-yl]-5-oxopentyl]urea;hydrochloride
CID 120803550

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride (CID 120736036) is N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride is CC(C)(C)C(=O)NCCCC(=O)N1CCNCC1c1cccc(F)c1.Cl.
What is the InChIKey of N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is HSGXYOHPVCCYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2.ClH/c1-19(2,3)18(25)22-9-5-8-17(24)23-11-10-21-13-16(23)14-6-4-7-15(20)12-14;/h4,6-7,12,16,21H,5,8-11,13H2,1-3H3,(H,22,25);1H.
What are the key properties of N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride?
N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 385.91 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 120736036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).