tert-butyl 4-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)piperazine-1-carboxylate

C22H33N3O3 — CID 60587742

IUPACtert-butyl 4-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(C(=O)N2CCCCC2)c2ccccc2)CC1
InChIInChI=1S/C22H33N3O3/c1-22(2,3)28-21(27)25-16-14-23(15-17-25)19(18-10-6-4-7-11-18)20(26)24-12-8-5-9-13-24/h4,6-7,10-11,19H,5,8-9,12-17H2,1-3H3
InChIKeyBAVDKZRHKJTDAM-UHFFFAOYSA-N
MW387.52 g/mol
LogP3.29
Rot. Bonds3

About tert-butyl 4-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)piperazine-1-carboxylate

tert-butyl 4-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)piperazine-1-carboxylate (PubChem CID 60587742) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is tert-butyl 4-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)piperazine-1-carboxylate
PubChem CID60587742
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Nametert-butyl 4-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(C(=O)N2CCCCC2)c2ccccc2)CC1
InChIInChI=1S/C22H33N3O3/c1-22(2,3)28-21(27)25-16-14-23(15-17-25)19(18-10-6-4-7-11-18)20(26)24-12-8-5-9-13-24/h4,6-7,10-11,19H,5,8-9,12-17H2,1-3H3
InChIKeyBAVDKZRHKJTDAM-UHFFFAOYSA-N
XLogP3.29
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]piperazine-1-carboxylate
CID 56516870
2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
CID 47010733
tert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
CID 16617188
(2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 8597142
tert-butyl 2-phenyl-2-piperidin-1-ylacetate;hydrochloride
CID 117066829
aniline;tert-butyl piperidine-1-carboxylate
CID 142463276
(2R)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 7009980
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 46614027
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 17477999
tert-butyl 4-[(1R)-2-amino-1-phenylethyl]piperazine-1-carboxylate
CID 51623312
tert-butyl 4-(3-hydroxy-1-phenylpropyl)piperazine-1-carboxylate
CID 142661174
2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 43013126

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)piperazine-1-carboxylate (CID 60587742) is tert-butyl 4-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(C(=O)N2CCCCC2)c2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)piperazine-1-carboxylate?
The InChIKey is BAVDKZRHKJTDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-22(2,3)28-21(27)25-16-14-23(15-17-25)19(18-10-6-4-7-11-18)20(26)24-12-8-5-9-13-24/h4,6-7,10-11,19H,5,8-9,12-17H2,1-3H3.
What are the key properties of tert-butyl 4-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)piperazine-1-carboxylate?
tert-butyl 4-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)piperazine-1-carboxylate has a molecular weight of 387.52 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)piperazine-1-carboxylate is sourced from PubChem (CID 60587742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).