tert-butyl 4-[2-[(3R)-1-[2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-2-oxoethyl]-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate

C26H45N3O6 — CID 10391090

IUPACtert-butyl 4-[2-[(3R)-1-[2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-2-oxoethyl]-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)CCNC(=O)CN1CCC[C@@H](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1=O
InChIInChI=1S/C26H45N3O6/c1-25(2,3)34-22(31)11-14-27-21(30)18-29-15-7-8-20(23(29)32)10-9-19-12-16-28(17-13-19)24(33)35-26(4,5)6/h19-20H,7-18H2,1-6H3,(H,27,30)/t20-/m0/s1
InChIKeyISTSLACGHAXKLO-FQEVSTJZSA-N
MW495.66 g/mol
LogP3.50
Rot. Bonds8

About tert-butyl 4-[2-[(3R)-1-[2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-2-oxoethyl]-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-[(3R)-1-[2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-2-oxoethyl]-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate (PubChem CID 10391090) has the molecular formula C26H45N3O6 and a molecular weight of 495.66 g/mol. Its IUPAC name is tert-butyl 4-[2-[(3R)-1-[2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-2-oxoethyl]-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[(3R)-1-[2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-2-oxoethyl]-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate
PubChem CID10391090
Molecular FormulaC26H45N3O6
Molecular Weight495.66 g/mol
Exact Mass495.33
IUPAC Nametert-butyl 4-[2-[(3R)-1-[2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-2-oxoethyl]-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)CCNC(=O)CN1CCC[C@@H](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1=O
InChIInChI=1S/C26H45N3O6/c1-25(2,3)34-22(31)11-14-27-21(30)18-29-15-7-8-20(23(29)32)10-9-19-12-16-28(17-13-19)24(33)35-26(4,5)6/h19-20H,7-18H2,1-6H3,(H,27,30)/t20-/m0/s1
InChIKeyISTSLACGHAXKLO-FQEVSTJZSA-N
XLogP3.50
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.66
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[2-[(3R)-1-[2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-2-oxoethyl]-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-[[2-[(3R)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-1-yl]acetyl]amino]butanoic acid
CID 10004062
tert-butyl 4-[2-[(3R)-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate
CID 10335583
tert-butyl 2-[(3R)-2-oxo-1-(2-oxopropyl)azepan-3-yl]acetate
CID 158907493
tert-butyl 4-[2-(ethylamino)ethyl]piperidine-1-carboxylate
CID 71635409
tert-butyl 4-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
CID 11701760
tert-butyl (4S)-4-(hydroxymethyl)azepane-1-carboxylate
CID 86326135
tert-butyl 4-(propylaminomethyl)piperidine-1-carboxylate
CID 66960433
3-[[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetyl]amino]propanoic acid
CID 166607119
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
tert-butyl 4-[2-(3-aminopropylamino)-2-oxoethyl]piperidine-1-carboxylate
CID 165436541
tert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate
CID 68532182
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]acetic acid
CID 53302291

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[(3R)-1-[2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-2-oxoethyl]-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[(3R)-1-[2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-2-oxoethyl]-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate (CID 10391090) is tert-butyl 4-[2-[(3R)-1-[2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-2-oxoethyl]-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[(3R)-1-[2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-2-oxoethyl]-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[(3R)-1-[2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-2-oxoethyl]-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)CCNC(=O)CN1CCC[C@@H](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1=O.
What is the InChIKey of tert-butyl 4-[2-[(3R)-1-[2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-2-oxoethyl]-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate?
The InChIKey is ISTSLACGHAXKLO-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H45N3O6/c1-25(2,3)34-22(31)11-14-27-21(30)18-29-15-7-8-20(23(29)32)10-9-19-12-16-28(17-13-19)24(33)35-26(4,5)6/h19-20H,7-18H2,1-6H3,(H,27,30)/t20-/m0/s1.
What are the key properties of tert-butyl 4-[2-[(3R)-1-[2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-2-oxoethyl]-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-[(3R)-1-[2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-2-oxoethyl]-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate has a molecular weight of 495.66 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[(3R)-1-[2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-2-oxoethyl]-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 10391090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).