[2-[di(propan-2-yl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

C19H34N2O4 — CID 55367299

IUPAC[2-[di(propan-2-yl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
SMILESCC(C)N(C(=O)COC(=O)C1CCN(C(=O)C(C)(C)C)CC1)C(C)C
InChIInChI=1S/C19H34N2O4/c1-13(2)21(14(3)4)16(22)12-25-17(23)15-8-10-20(11-9-15)18(24)19(5,6)7/h13-15H,8-12H2,1-7H3
InChIKeyQBCSTPYIWONWPO-UHFFFAOYSA-N
MW354.49 g/mol
LogP2.46
Rot. Bonds5

About [2-[di(propan-2-yl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

[2-[di(propan-2-yl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate (PubChem CID 55367299) has the molecular formula C19H34N2O4 and a molecular weight of 354.49 g/mol. Its IUPAC name is [2-[di(propan-2-yl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-[di(propan-2-yl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
PubChem CID55367299
Molecular FormulaC19H34N2O4
Molecular Weight354.49 g/mol
Exact Mass354.25
IUPAC Name[2-[di(propan-2-yl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
SMILESCC(C)N(C(=O)COC(=O)C1CCN(C(=O)C(C)(C)C)CC1)C(C)C
InChIInChI=1S/C19H34N2O4/c1-13(2)21(14(3)4)16(22)12-25-17(23)15-8-10-20(11-9-15)18(24)19(5,6)7/h13-15H,8-12H2,1-7H3
InChIKeyQBCSTPYIWONWPO-UHFFFAOYSA-N
XLogP2.46
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 55367371
methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 777600
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 46812470
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 46812413
ethyl 1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 55363206
[2-oxo-2-(phenylcarbamoylamino)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 9059242
[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 46812420
[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 27776322
ethyl 1-(3-chloro-2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 63679178
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one
CID 168727093
[2-(3,4-diethoxyanilino)-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 31711582
[2-(4-butoxycarbonylanilino)-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 31711351

Frequently Asked Questions

What is the IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate (CID 55367299) is [2-[di(propan-2-yl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-[di(propan-2-yl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The canonical SMILES for [2-[di(propan-2-yl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate is CC(C)N(C(=O)COC(=O)C1CCN(C(=O)C(C)(C)C)CC1)C(C)C.
What is the InChIKey of [2-[di(propan-2-yl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The InChIKey is QBCSTPYIWONWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O4/c1-13(2)21(14(3)4)16(22)12-25-17(23)15-8-10-20(11-9-15)18(24)19(5,6)7/h13-15H,8-12H2,1-7H3.
What are the key properties of [2-[di(propan-2-yl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
[2-[di(propan-2-yl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate has a molecular weight of 354.49 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[di(propan-2-yl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 55367299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).