N-(3-chloro-4-fluorophenyl)-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide

C19H24ClFN4O — CID 90495502

IUPACN-(3-chloro-4-fluorophenyl)-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
SMILESCc1cc(C)n(CC2CCN(CC(=O)Nc3ccc(F)c(Cl)c3)CC2)n1
InChIInChI=1S/C19H24ClFN4O/c1-13-9-14(2)25(23-13)11-15-5-7-24(8-6-15)12-19(26)22-16-3-4-18(21)17(20)10-16/h3-4,9-10,15H,5-8,11-12H2,1-2H3,(H,22,26)
InChIKeyJCCYBUQPCLOFGX-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.64
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide

N-(3-chloro-4-fluorophenyl)-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide (PubChem CID 90495502) has the molecular formula C19H24ClFN4O and a molecular weight of 378.88 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
PubChem CID90495502
Molecular FormulaC19H24ClFN4O
Molecular Weight378.88 g/mol
Exact Mass378.16
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
SMILESCc1cc(C)n(CC2CCN(CC(=O)Nc3ccc(F)c(Cl)c3)CC2)n1
InChIInChI=1S/C19H24ClFN4O/c1-13-9-14(2)25(23-13)11-15-5-7-24(8-6-15)12-19(26)22-16-3-4-18(21)17(20)10-16/h3-4,9-10,15H,5-8,11-12H2,1-2H3,(H,22,26)
InChIKeyJCCYBUQPCLOFGX-UHFFFAOYSA-N
XLogP3.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90495459
N-(3-chloro-4-fluorophenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90495307
N-(3-chloro-4-fluorophenyl)-3-[1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]propanamide
CID 25477537
N-cyclopropyl-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90495505
1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907508
2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride
CID 119917629
2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 90495488
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 8904218
2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-prop-2-enylacetamide
CID 90495494
1-(3-chloro-4-fluorophenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea
CID 8786354
ethyl 2-[[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetyl]amino]benzoate
CID 90495468
N-(3-chloro-4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642472

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide (CID 90495502) is N-(3-chloro-4-fluorophenyl)-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide is Cc1cc(C)n(CC2CCN(CC(=O)Nc3ccc(F)c(Cl)c3)CC2)n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide?
The InChIKey is JCCYBUQPCLOFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClFN4O/c1-13-9-14(2)25(23-13)11-15-5-7-24(8-6-15)12-19(26)22-16-3-4-18(21)17(20)10-16/h3-4,9-10,15H,5-8,11-12H2,1-2H3,(H,22,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide has a molecular weight of 378.88 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 90495502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).