N-(4-chloro-3-fluorophenyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide

C18H22ClFN4O — CID 72877104

IUPACN-(4-chloro-3-fluorophenyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide
SMILESCc1nccn1CCC1CCN(C(=O)Nc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C18H22ClFN4O/c1-13-21-7-11-23(13)8-4-14-5-9-24(10-6-14)18(25)22-15-2-3-16(19)17(20)12-15/h2-3,7,11-12,14H,4-6,8-10H2,1H3,(H,22,25)
InChIKeyYHSKOERAORYYGK-UHFFFAOYSA-N
MW364.85 g/mol
LogP4.32
Rot. Bonds4

About N-(4-chloro-3-fluorophenyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide

N-(4-chloro-3-fluorophenyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide (PubChem CID 72877104) has the molecular formula C18H22ClFN4O and a molecular weight of 364.85 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide
PubChem CID72877104
Molecular FormulaC18H22ClFN4O
Molecular Weight364.85 g/mol
Exact Mass364.15
IUPAC NameN-(4-chloro-3-fluorophenyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide
SMILESCc1nccn1CCC1CCN(C(=O)Nc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C18H22ClFN4O/c1-13-21-7-11-23(13)8-4-14-5-9-24(10-6-14)18(25)22-15-2-3-16(19)17(20)12-15/h2-3,7,11-12,14H,4-6,8-10H2,1H3,(H,22,25)
InChIKeyYHSKOERAORYYGK-UHFFFAOYSA-N
XLogP4.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223585
N-(4-ethoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 71781139
N-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494071
4-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide;dihydrochloride
CID 155823381
N-(3,4-dichlorophenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561850
N-[5-[(4-chloro-3-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide
CID 122693283
N-(5-chloro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 71781145
N-(4-chloro-3-fluorophenyl)morpholine-4-carboxamide
CID 47223545
4-[2-[(2-cyclopentylacetyl)amino]ethyl]-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide
CID 91913330
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]ethanone
CID 97187875
1-[(4-chloro-3-fluorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124130
2-[4-[(4-chloro-3-fluorophenyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61468063

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide (CID 72877104) is N-(4-chloro-3-fluorophenyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide is Cc1nccn1CCC1CCN(C(=O)Nc2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is YHSKOERAORYYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN4O/c1-13-21-7-11-23(13)8-4-14-5-9-24(10-6-14)18(25)22-15-2-3-16(19)17(20)12-15/h2-3,7,11-12,14H,4-6,8-10H2,1H3,(H,22,25).
What are the key properties of N-(4-chloro-3-fluorophenyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide?
N-(4-chloro-3-fluorophenyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 364.85 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 72877104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).