tert-butyl 4-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-1-carboxylate

C19H25F2NO4 — CID 58578286

IUPACtert-butyl 4-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)Cc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C19H25F2NO4/c1-19(2,3)26-18(24)22-10-8-14(9-11-22)16(23)12-13-4-6-15(7-5-13)25-17(20)21/h4-7,14,17H,8-12H2,1-3H3
InChIKeyDZKOUQQOFNYBSQ-UHFFFAOYSA-N
MW369.41 g/mol
LogP4.05
Rot. Bonds5

About tert-butyl 4-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-1-carboxylate

tert-butyl 4-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-1-carboxylate (PubChem CID 58578286) has the molecular formula C19H25F2NO4 and a molecular weight of 369.41 g/mol. Its IUPAC name is tert-butyl 4-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-1-carboxylate
PubChem CID58578286
Molecular FormulaC19H25F2NO4
Molecular Weight369.41 g/mol
Exact Mass369.18
IUPAC Nametert-butyl 4-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)Cc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C19H25F2NO4/c1-19(2,3)26-18(24)22-10-8-14(9-11-22)16(23)12-13-4-6-15(7-5-13)25-17(20)21/h4-7,14,17H,8-12H2,1-3H3
InChIKeyDZKOUQQOFNYBSQ-UHFFFAOYSA-N
XLogP4.05
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 134059870
tert-butyl (2R)-2-[4-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-1-carbonyl]pyrrolidine-1-carboxylate;1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-[4-(difluoromethoxy)phenyl]ethanone;hydrochloride
CID 160749239
tert-butyl 4-[4-(4-fluorophenyl)-3-oxobutanoyl]piperidine-1-carboxylate
CID 69448029
tert-butyl 4-(4-propan-2-yloxybenzoyl)piperidine-1-carboxylate
CID 154538792
tert-butyl 4-(5-phenyl-4-sulfanylidenepentanoyl)piperidine-1-carboxylate
CID 158507429
tert-butyl 3-[2-(3-chloro-4-fluorophenyl)acetyl]pyrrolidine-1-carboxylate
CID 107092124
tert-butyl 4-(2-pyridin-2-ylacetyl)piperidine-1-carboxylate
CID 46941819
tert-butyl 3-[C-[4-(difluoromethoxy)phenyl]-N-hydroxycarbonimidoyl]azetidine-1-carboxylate
CID 131741582
tert-butyl 4-[4-(hydroxymethyl)phenoxy]piperidine-1-carboxylate
CID 22632413
tert-butyl 4-[4-(2-oxopropyl)phenyl]piperidine-1-carboxylate
CID 89449291
tert-butyl 4-[[4-(dimethylamino)phenyl]methyl]piperidine-1-carboxylate
CID 139989102
tert-butyl 3-[2-(3-bromophenyl)acetyl]pyrrolidine-1-carboxylate
CID 107091887

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-1-carboxylate (CID 58578286) is tert-butyl 4-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)Cc2ccc(OC(F)F)cc2)CC1.
What is the InChIKey of tert-butyl 4-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-1-carboxylate?
The InChIKey is DZKOUQQOFNYBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2NO4/c1-19(2,3)26-18(24)22-10-8-14(9-11-22)16(23)12-13-4-6-15(7-5-13)25-17(20)21/h4-7,14,17H,8-12H2,1-3H3.
What are the key properties of tert-butyl 4-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-1-carboxylate?
tert-butyl 4-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-1-carboxylate has a molecular weight of 369.41 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-1-carboxylate is sourced from PubChem (CID 58578286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).