1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride

C15H20Cl2FN3O2 — CID 119325792

IUPAC1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.NCCC(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C15H19ClFN3O2.ClH/c16-12-9-11(1-2-13(12)17)19-15(22)10-4-7-20(8-5-10)14(21)3-6-18;/h1-2,9-10H,3-8,18H2,(H,19,22);1H
InChIKeyIEHHNNKSQWBMSK-UHFFFAOYSA-N
MW364.25 g/mol
LogP2.43
Rot. Bonds4

About 1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride

1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119325792) has the molecular formula C15H20Cl2FN3O2 and a molecular weight of 364.25 g/mol. Its IUPAC name is 1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119325792
Molecular FormulaC15H20Cl2FN3O2
Molecular Weight364.25 g/mol
Exact Mass363.09
IUPAC Name1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.NCCC(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C15H19ClFN3O2.ClH/c16-12-9-11(1-2-13(12)17)19-15(22)10-4-7-20(8-5-10)14(21)3-6-18;/h1-2,9-10H,3-8,18H2,(H,19,22);1H
InChIKeyIEHHNNKSQWBMSK-UHFFFAOYSA-N
XLogP2.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-aminophenyl)acetyl]-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 119787390
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-[4-(aminomethyl)oxane-4-carbonyl]-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 120932978
1-(2-amino-2-methylpentanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119787425
1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 113008513
1-(3-aminopropanoyl)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-4-carboxamide
CID 135389535
1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 113007300
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055
2-[4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120976184
N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075518
1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856586

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride (CID 119325792) is 1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride is Cl.NCCC(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is IEHHNNKSQWBMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3O2.ClH/c16-12-9-11(1-2-13(12)17)19-15(22)10-4-7-20(8-5-10)14(21)3-6-18;/h1-2,9-10H,3-8,18H2,(H,19,22);1H.
What are the key properties of 1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 364.25 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119325792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).