tert-butyl 3-[2-[cyclopropyl(propan-2-yl)amino]-2-oxoethyl]-3-hydroxypiperidine-1-carboxylate

C18H32N2O4 — CID 126840504

IUPACtert-butyl 3-[2-[cyclopropyl(propan-2-yl)amino]-2-oxoethyl]-3-hydroxypiperidine-1-carboxylate
SMILESCC(C)N(C(=O)CC1(O)CCCN(C(=O)OC(C)(C)C)C1)C1CC1
InChIInChI=1S/C18H32N2O4/c1-13(2)20(14-7-8-14)15(21)11-18(23)9-6-10-19(12-18)16(22)24-17(3,4)5/h13-14,23H,6-12H2,1-5H3
InChIKeyUGYCUSPJVXYZTN-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.54
Rot. Bonds4

About tert-butyl 3-[2-[cyclopropyl(propan-2-yl)amino]-2-oxoethyl]-3-hydroxypiperidine-1-carboxylate

tert-butyl 3-[2-[cyclopropyl(propan-2-yl)amino]-2-oxoethyl]-3-hydroxypiperidine-1-carboxylate (PubChem CID 126840504) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is tert-butyl 3-[2-[cyclopropyl(propan-2-yl)amino]-2-oxoethyl]-3-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-[cyclopropyl(propan-2-yl)amino]-2-oxoethyl]-3-hydroxypiperidine-1-carboxylate
PubChem CID126840504
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Nametert-butyl 3-[2-[cyclopropyl(propan-2-yl)amino]-2-oxoethyl]-3-hydroxypiperidine-1-carboxylate
SMILESCC(C)N(C(=O)CC1(O)CCCN(C(=O)OC(C)(C)C)C1)C1CC1
InChIInChI=1S/C18H32N2O4/c1-13(2)20(14-7-8-14)15(21)11-18(23)9-6-10-19(12-18)16(22)24-17(3,4)5/h13-14,23H,6-12H2,1-5H3
InChIKeyUGYCUSPJVXYZTN-UHFFFAOYSA-N
XLogP2.54
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659
tert-butyl 3-but-3-enyl-3-hydroxypiperidine-1-carboxylate
CID 71762891
tert-butyl 4-(aminomethyl)-4-hydroxyazepane-1-carboxylate
CID 56698914
tert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 105490874
tert-butyl 3-(2-aminoethyl)-3-cyclopropylpiperidine-1-carboxylate
CID 83825953
tert-butyl 3-[(1-hydroxycyclohexyl)methyl-methylamino]piperidine-1-carboxylate
CID 126846006
tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate
CID 97114215
tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 71630502
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
tert-butyl 3-(1-cyclopropylethoxy)-3-(iodomethyl)piperidine-1-carboxylate
CID 165494512
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
1-O-tert-butyl 3-O-ethyl 3-hydroxypiperidine-1,3-dicarboxylate
CID 117273382

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[cyclopropyl(propan-2-yl)amino]-2-oxoethyl]-3-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-[cyclopropyl(propan-2-yl)amino]-2-oxoethyl]-3-hydroxypiperidine-1-carboxylate (CID 126840504) is tert-butyl 3-[2-[cyclopropyl(propan-2-yl)amino]-2-oxoethyl]-3-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-[cyclopropyl(propan-2-yl)amino]-2-oxoethyl]-3-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-[cyclopropyl(propan-2-yl)amino]-2-oxoethyl]-3-hydroxypiperidine-1-carboxylate is CC(C)N(C(=O)CC1(O)CCCN(C(=O)OC(C)(C)C)C1)C1CC1.
What is the InChIKey of tert-butyl 3-[2-[cyclopropyl(propan-2-yl)amino]-2-oxoethyl]-3-hydroxypiperidine-1-carboxylate?
The InChIKey is UGYCUSPJVXYZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-13(2)20(14-7-8-14)15(21)11-18(23)9-6-10-19(12-18)16(22)24-17(3,4)5/h13-14,23H,6-12H2,1-5H3.
What are the key properties of tert-butyl 3-[2-[cyclopropyl(propan-2-yl)amino]-2-oxoethyl]-3-hydroxypiperidine-1-carboxylate?
tert-butyl 3-[2-[cyclopropyl(propan-2-yl)amino]-2-oxoethyl]-3-hydroxypiperidine-1-carboxylate has a molecular weight of 340.46 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[cyclopropyl(propan-2-yl)amino]-2-oxoethyl]-3-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 126840504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).