tert-butyl 3-(4-phenylmethoxybenzoyl)piperidine-1-carboxylate

C24H29NO4 — CID 164888367

IUPACtert-butyl 3-(4-phenylmethoxybenzoyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)c2ccc(OCc3ccccc3)cc2)C1
InChIInChI=1S/C24H29NO4/c1-24(2,3)29-23(27)25-15-7-10-20(16-25)22(26)19-11-13-21(14-12-19)28-17-18-8-5-4-6-9-18/h4-6,8-9,11-14,20H,7,10,15-17H2,1-3H3
InChIKeyCYMDKVGIOUXHDF-UHFFFAOYSA-N
MW395.50 g/mol
LogP5.10
Rot. Bonds5

About tert-butyl 3-(4-phenylmethoxybenzoyl)piperidine-1-carboxylate

tert-butyl 3-(4-phenylmethoxybenzoyl)piperidine-1-carboxylate (PubChem CID 164888367) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is tert-butyl 3-(4-phenylmethoxybenzoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-phenylmethoxybenzoyl)piperidine-1-carboxylate
PubChem CID164888367
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Nametert-butyl 3-(4-phenylmethoxybenzoyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)c2ccc(OCc3ccccc3)cc2)C1
InChIInChI=1S/C24H29NO4/c1-24(2,3)29-23(27)25-15-7-10-20(16-25)22(26)19-11-13-21(14-12-19)28-17-18-8-5-4-6-9-18/h4-6,8-9,11-14,20H,7,10,15-17H2,1-3H3
InChIKeyCYMDKVGIOUXHDF-UHFFFAOYSA-N
XLogP5.10
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(4-phenylmethoxybenzoyl)azetidine-1-carboxylate
CID 71014923
tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate
CID 174881226
tert-butyl 3-(4-methylbenzoyl)piperidine-1-carboxylate
CID 122200685
tert-butyl (3R,4R)-3-hydroxy-4-(4-phenylmethoxyphenyl)piperidine-1-carboxylate
CID 52910991
tert-butyl (3R)-3-(phenylmethoxyamino)piperidine-1-carboxylate
CID 126709456
tert-butyl (2S)-2-[(4-phenylmethoxyphenoxy)methyl]pyrrolidine-1-carboxylate
CID 68999596
cyclopropyl-(4-phenylmethoxyphenyl)methanone
CID 6482534
tert-butyl 3-[[3-[(4-phenylphenyl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate
CID 25223091
tert-butyl 3-(6-methoxypyridine-3-carbonyl)piperidine-1-carboxylate
CID 164888365
tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate
CID 68644853
tert-butyl (3R)-3-(2-methylbenzoyl)piperidine-1-carboxylate
CID 59382852
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-phenylmethoxybenzoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-phenylmethoxybenzoyl)piperidine-1-carboxylate (CID 164888367) is tert-butyl 3-(4-phenylmethoxybenzoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-phenylmethoxybenzoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-phenylmethoxybenzoyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C(=O)c2ccc(OCc3ccccc3)cc2)C1.
What is the InChIKey of tert-butyl 3-(4-phenylmethoxybenzoyl)piperidine-1-carboxylate?
The InChIKey is CYMDKVGIOUXHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4/c1-24(2,3)29-23(27)25-15-7-10-20(16-25)22(26)19-11-13-21(14-12-19)28-17-18-8-5-4-6-9-18/h4-6,8-9,11-14,20H,7,10,15-17H2,1-3H3.
What are the key properties of tert-butyl 3-(4-phenylmethoxybenzoyl)piperidine-1-carboxylate?
tert-butyl 3-(4-phenylmethoxybenzoyl)piperidine-1-carboxylate has a molecular weight of 395.50 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-phenylmethoxybenzoyl)piperidine-1-carboxylate is sourced from PubChem (CID 164888367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).