2-[4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutane-1-carboxylic acid

C18H20ClFN2O4 — CID 120976184

IUPAC2-[4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)C2CCC2C(=O)O)CC1
InChIInChI=1S/C18H20ClFN2O4/c19-14-9-11(1-4-15(14)20)21-16(23)10-5-7-22(8-6-10)17(24)12-2-3-13(12)18(25)26/h1,4,9-10,12-13H,2-3,5-8H2,(H,21,23)(H,25,26)
InChIKeyQYHRLAMUJHOWMQ-UHFFFAOYSA-N
MW382.82 g/mol
LogP2.77
Rot. Bonds4

About 2-[4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutane-1-carboxylic acid

2-[4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutane-1-carboxylic acid (PubChem CID 120976184) has the molecular formula C18H20ClFN2O4 and a molecular weight of 382.82 g/mol. Its IUPAC name is 2-[4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
PubChem CID120976184
Molecular FormulaC18H20ClFN2O4
Molecular Weight382.82 g/mol
Exact Mass382.11
IUPAC Name2-[4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)C2CCC2C(=O)O)CC1
InChIInChI=1S/C18H20ClFN2O4/c19-14-9-11(1-4-15(14)20)21-16(23)10-5-7-22(8-6-10)17(24)12-2-3-13(12)18(25)26/h1,4,9-10,12-13H,2-3,5-8H2,(H,21,23)(H,25,26)
InChIKeyQYHRLAMUJHOWMQ-UHFFFAOYSA-N
XLogP2.77
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.82
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31789168
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055
1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119325792
(3S)-N-(3-chloro-4-fluorophenyl)-1-(2-oxopropanoyl)pyrrolidine-3-carboxamide
CID 159674801
N-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide
CID 86948577
(3S)-N-(3-chloro-4-fluorophenyl)-1-(2-oxopropanoyl)pyrrolidine-3-carboxamide;sulfane
CID 159674800
1-(3-amino-2-methylbutanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 120500954
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-[2-(4-aminophenyl)acetyl]-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 119787390
N-(3-chloro-4-fluorophenyl)-1-(3-hydroxypropyl)piperidine-4-carboxamide
CID 111148135
N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43923094

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutane-1-carboxylic acid (CID 120976184) is 2-[4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutane-1-carboxylic acid is O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)C2CCC2C(=O)O)CC1.
What is the InChIKey of 2-[4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutane-1-carboxylic acid?
The InChIKey is QYHRLAMUJHOWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O4/c19-14-9-11(1-4-15(14)20)21-16(23)10-5-7-22(8-6-10)17(24)12-2-3-13(12)18(25)26/h1,4,9-10,12-13H,2-3,5-8H2,(H,21,23)(H,25,26).
What are the key properties of 2-[4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutane-1-carboxylic acid?
2-[4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutane-1-carboxylic acid has a molecular weight of 382.82 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120976184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).