tert-butyl 4-(4-propan-2-yloxybenzoyl)piperidine-1-carboxylate

C20H29NO4 — CID 154538792

IUPACtert-butyl 4-(4-propan-2-yloxybenzoyl)piperidine-1-carboxylate
SMILESCC(C)Oc1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C20H29NO4/c1-14(2)24-17-8-6-15(7-9-17)18(22)16-10-12-21(13-11-16)19(23)25-20(3,4)5/h6-9,14,16H,10-13H2,1-5H3
InChIKeyRWEBZZKFTHNXSK-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.30
Rot. Bonds4

About tert-butyl 4-(4-propan-2-yloxybenzoyl)piperidine-1-carboxylate

tert-butyl 4-(4-propan-2-yloxybenzoyl)piperidine-1-carboxylate (PubChem CID 154538792) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is tert-butyl 4-(4-propan-2-yloxybenzoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-propan-2-yloxybenzoyl)piperidine-1-carboxylate
PubChem CID154538792
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Nametert-butyl 4-(4-propan-2-yloxybenzoyl)piperidine-1-carboxylate
SMILESCC(C)Oc1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C20H29NO4/c1-14(2)24-17-8-6-15(7-9-17)18(22)16-10-12-21(13-11-16)19(23)25-20(3,4)5/h6-9,14,16H,10-13H2,1-5H3
InChIKeyRWEBZZKFTHNXSK-UHFFFAOYSA-N
XLogP4.30
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(4-chlorobenzoyl)piperidine-1-carboxylate
CID 10519988
tert-butyl 4-(4-propan-2-yloxyanilino)piperidine-1-carboxylate
CID 54491063
tert-butyl 3-(4-propan-2-yloxybenzoyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171940608
(4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone
CID 65424083
tert-butyl (3R)-3-(4-bromobenzoyl)pyrrolidine-1-carboxylate
CID 124566348
tert-butyl 4-(3-bromobenzoyl)piperidine-1-carboxylate
CID 171314862
1-(4-propan-2-yloxybenzoyl)piperidine-4-carboxylic acid
CID 17200636
tert-butyl 4-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-1-carboxylate
CID 58578286
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl N-[1-[4-(4-methylbenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 55956466
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(4-propan-2-yloxyphenyl)methanone
CID 115997723
3-(4-propan-2-yloxybenzoyl)cyclopentan-1-one
CID 79638659

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-propan-2-yloxybenzoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-propan-2-yloxybenzoyl)piperidine-1-carboxylate (CID 154538792) is tert-butyl 4-(4-propan-2-yloxybenzoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-propan-2-yloxybenzoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-propan-2-yloxybenzoyl)piperidine-1-carboxylate is CC(C)Oc1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 4-(4-propan-2-yloxybenzoyl)piperidine-1-carboxylate?
The InChIKey is RWEBZZKFTHNXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-14(2)24-17-8-6-15(7-9-17)18(22)16-10-12-21(13-11-16)19(23)25-20(3,4)5/h6-9,14,16H,10-13H2,1-5H3.
What are the key properties of tert-butyl 4-(4-propan-2-yloxybenzoyl)piperidine-1-carboxylate?
tert-butyl 4-(4-propan-2-yloxybenzoyl)piperidine-1-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-propan-2-yloxybenzoyl)piperidine-1-carboxylate is sourced from PubChem (CID 154538792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).