1-(2-amino-2-methylpentanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride

C18H26Cl2FN3O2 — CID 119787425

IUPAC1-(2-amino-2-methylpentanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1.Cl
InChIInChI=1S/C18H25ClFN3O2.ClH/c1-3-8-18(2,21)17(25)23-9-6-12(7-10-23)16(24)22-13-4-5-15(20)14(19)11-13;/h4-5,11-12H,3,6-10,21H2,1-2H3,(H,22,24);1H
InChIKeyAIUXAFXTTHTLNO-UHFFFAOYSA-N
MW406.33 g/mol
LogP3.60
Rot. Bonds5

About 1-(2-amino-2-methylpentanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride

1-(2-amino-2-methylpentanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119787425) has the molecular formula C18H26Cl2FN3O2 and a molecular weight of 406.33 g/mol. Its IUPAC name is 1-(2-amino-2-methylpentanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-amino-2-methylpentanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119787425
Molecular FormulaC18H26Cl2FN3O2
Molecular Weight406.33 g/mol
Exact Mass405.14
IUPAC Name1-(2-amino-2-methylpentanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1.Cl
InChIInChI=1S/C18H25ClFN3O2.ClH/c1-3-8-18(2,21)17(25)23-9-6-12(7-10-23)16(24)22-13-4-5-15(20)14(19)11-13;/h4-5,11-12H,3,6-10,21H2,1-2H3,(H,22,24);1H
InChIKeyAIUXAFXTTHTLNO-UHFFFAOYSA-N
XLogP3.60
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.33
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119325792
1-(3-amino-2-methylbutanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 120500954
N-(3-chloro-4-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31789168
1-[2-(4-aminophenyl)acetyl]-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 119787390
(3S)-N-(3-chloro-4-fluorophenyl)-1-(2-oxopropanoyl)pyrrolidine-3-carboxamide
CID 159674801
N-(3-chloro-4-methylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344122
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055
2-[4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120976184
(3S)-N-(3-chloro-4-fluorophenyl)-1-(2-oxopropanoyl)pyrrolidine-3-carboxamide;sulfane
CID 159674800
N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075518
N-(3-chloro-4-fluorophenyl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 71938113
1-[4-(aminomethyl)oxane-4-carbonyl]-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 120932978

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylpentanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(2-amino-2-methylpentanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride (CID 119787425) is 1-(2-amino-2-methylpentanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-amino-2-methylpentanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-amino-2-methylpentanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride is CCCC(C)(N)C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1.Cl.
What is the InChIKey of 1-(2-amino-2-methylpentanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is AIUXAFXTTHTLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClFN3O2.ClH/c1-3-8-18(2,21)17(25)23-9-6-12(7-10-23)16(24)22-13-4-5-15(20)14(19)11-13;/h4-5,11-12H,3,6-10,21H2,1-2H3,(H,22,24);1H.
What are the key properties of 1-(2-amino-2-methylpentanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
1-(2-amino-2-methylpentanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 406.33 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylpentanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119787425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).