tert-butyl 4-(1-amino-2-oxopropyl)-4-phenylpiperidine-1-carboxylate

C19H28N2O3 — CID 66863325

IUPACtert-butyl 4-(1-amino-2-oxopropyl)-4-phenylpiperidine-1-carboxylate
SMILESCC(=O)C(N)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H28N2O3/c1-14(22)16(20)19(15-8-6-5-7-9-15)10-12-21(13-11-19)17(23)24-18(2,3)4/h5-9,16H,10-13,20H2,1-4H3
InChIKeyJTGPLEIFACZGKN-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.87
Rot. Bonds3

About tert-butyl 4-(1-amino-2-oxopropyl)-4-phenylpiperidine-1-carboxylate

tert-butyl 4-(1-amino-2-oxopropyl)-4-phenylpiperidine-1-carboxylate (PubChem CID 66863325) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is tert-butyl 4-(1-amino-2-oxopropyl)-4-phenylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-amino-2-oxopropyl)-4-phenylpiperidine-1-carboxylate
PubChem CID66863325
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nametert-butyl 4-(1-amino-2-oxopropyl)-4-phenylpiperidine-1-carboxylate
SMILESCC(=O)C(N)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H28N2O3/c1-14(22)16(20)19(15-8-6-5-7-9-15)10-12-21(13-11-19)17(23)24-18(2,3)4/h5-9,16H,10-13,20H2,1-4H3
InChIKeyJTGPLEIFACZGKN-UHFFFAOYSA-N
XLogP2.87
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 175653869
tert-butyl 4-ethenyl-4-phenylpiperidine-1-carboxylate
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tert-butyl 4-(2-amino-2-oxoethyl)-4-phenylpiperidine-1-carboxylate;toluene
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CID 70992618
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tert-butyl (1R,6S)-6-phenyl-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 124746123
tert-butyl 4-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 67422951
tert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate
CID 22730796
tert-butyl 4-(2-phenyloxiran-2-yl)piperidine-1-carboxylate
CID 102537824
tert-butyl 4-(2-amino-3-phenylpropanoyl)piperazine-1-carboxylate
CID 22284452
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpiperidine-4-carboxylic acid
CID 54382242

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-amino-2-oxopropyl)-4-phenylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-amino-2-oxopropyl)-4-phenylpiperidine-1-carboxylate (CID 66863325) is tert-butyl 4-(1-amino-2-oxopropyl)-4-phenylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-amino-2-oxopropyl)-4-phenylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-amino-2-oxopropyl)-4-phenylpiperidine-1-carboxylate is CC(=O)C(N)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(1-amino-2-oxopropyl)-4-phenylpiperidine-1-carboxylate?
The InChIKey is JTGPLEIFACZGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(22)16(20)19(15-8-6-5-7-9-15)10-12-21(13-11-19)17(23)24-18(2,3)4/h5-9,16H,10-13,20H2,1-4H3.
What are the key properties of tert-butyl 4-(1-amino-2-oxopropyl)-4-phenylpiperidine-1-carboxylate?
tert-butyl 4-(1-amino-2-oxopropyl)-4-phenylpiperidine-1-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-amino-2-oxopropyl)-4-phenylpiperidine-1-carboxylate is sourced from PubChem (CID 66863325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).