2-(4-chloropyrazol-1-yl)-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]propan-1-one

C18H21ClFN3O2 — CID 46972542

IUPAC2-(4-chloropyrazol-1-yl)-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCC(COc2ccccc2F)C1)n1cc(Cl)cn1
InChIInChI=1S/C18H21ClFN3O2/c1-13(23-11-15(19)9-21-23)18(24)22-8-4-5-14(10-22)12-25-17-7-3-2-6-16(17)20/h2-3,6-7,9,11,13-14H,4-5,8,10,12H2,1H3
InChIKeyMPWVCQUTRREFPD-UHFFFAOYSA-N
MW365.84 g/mol
LogP3.55
Rot. Bonds5

About 2-(4-chloropyrazol-1-yl)-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]propan-1-one

2-(4-chloropyrazol-1-yl)-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]propan-1-one (PubChem CID 46972542) has the molecular formula C18H21ClFN3O2 and a molecular weight of 365.84 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]propan-1-one
PubChem CID46972542
Molecular FormulaC18H21ClFN3O2
Molecular Weight365.84 g/mol
Exact Mass365.13
IUPAC Name2-(4-chloropyrazol-1-yl)-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCC(COc2ccccc2F)C1)n1cc(Cl)cn1
InChIInChI=1S/C18H21ClFN3O2/c1-13(23-11-15(19)9-21-23)18(24)22-8-4-5-14(10-22)12-25-17-7-3-2-6-16(17)20/h2-3,6-7,9,11,13-14H,4-5,8,10,12H2,1H3
InChIKeyMPWVCQUTRREFPD-UHFFFAOYSA-N
XLogP3.55
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloropyrazol-1-yl)-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 162679483
(2S)-3-(4-chloropyrazol-1-yl)-1-[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 92582188
(2S)-1-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
CID 92596284
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638623
3-[3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 46969823
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 70712182
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110638610
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanone
CID 46970937
(4S)-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-5,5-dimethyloxolan-2-one
CID 92582908
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 110638619
[(3S)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 95885714
N-(3-amino-3-oxopropyl)-3-[(2-fluorophenoxy)methyl]piperidine-1-carboxamide
CID 119071247

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]propan-1-one (CID 46972542) is 2-(4-chloropyrazol-1-yl)-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]propan-1-one is CC(C(=O)N1CCCC(COc2ccccc2F)C1)n1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is MPWVCQUTRREFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN3O2/c1-13(23-11-15(19)9-21-23)18(24)22-8-4-5-14(10-22)12-25-17-7-3-2-6-16(17)20/h2-3,6-7,9,11,13-14H,4-5,8,10,12H2,1H3.
What are the key properties of 2-(4-chloropyrazol-1-yl)-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]propan-1-one?
2-(4-chloropyrazol-1-yl)-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 365.84 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 46972542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).