tert-butyl N-[3-(dimethylamino)-1-[(2S)-2-[[(2R)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate

C23H43N5O5 — CID 134843494

IUPACtert-butyl N-[3-(dimethylamino)-1-[(2S)-2-[[(2R)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate
SMILESCC(C)[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)C(CN(C)C)NC(=O)OC(C)(C)C)C(=O)N(C)C
InChIInChI=1S/C23H43N5O5/c1-15(2)18(21(31)27(8)9)25-19(29)17-12-10-11-13-28(17)20(30)16(14-26(6)7)24-22(32)33-23(3,4)5/h15-18H,10-14H2,1-9H3,(H,24,32)(H,25,29)/t16?,17-,18+/m0/s1
InChIKeyUMYCCYNDGQPTGV-UQJFVLDMSA-N
MW469.63 g/mol
LogP1.05
Rot. Bonds8

About tert-butyl N-[3-(dimethylamino)-1-[(2S)-2-[[(2R)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate

tert-butyl N-[3-(dimethylamino)-1-[(2S)-2-[[(2R)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate (PubChem CID 134843494) has the molecular formula C23H43N5O5 and a molecular weight of 469.63 g/mol. Its IUPAC name is tert-butyl N-[3-(dimethylamino)-1-[(2S)-2-[[(2R)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(dimethylamino)-1-[(2S)-2-[[(2R)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate
PubChem CID134843494
Molecular FormulaC23H43N5O5
Molecular Weight469.63 g/mol
Exact Mass469.33
IUPAC Nametert-butyl N-[3-(dimethylamino)-1-[(2S)-2-[[(2R)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate
SMILESCC(C)[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)C(CN(C)C)NC(=O)OC(C)(C)C)C(=O)N(C)C
InChIInChI=1S/C23H43N5O5/c1-15(2)18(21(31)27(8)9)25-19(29)17-12-10-11-13-28(17)20(30)16(14-26(6)7)24-22(32)33-23(3,4)5/h15-18H,10-14H2,1-9H3,(H,24,32)(H,25,29)/t16?,17-,18+/m0/s1
InChIKeyUMYCCYNDGQPTGV-UQJFVLDMSA-N
XLogP1.05
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(dimethylamino)-1-[(2S)-2-[[(2R)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(dimethylamino)-1-[(2S)-2-[[(2R)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate (CID 134843494) is tert-butyl N-[3-(dimethylamino)-1-[(2S)-2-[[(2R)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(dimethylamino)-1-[(2S)-2-[[(2R)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(dimethylamino)-1-[(2S)-2-[[(2R)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate is CC(C)[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)C(CN(C)C)NC(=O)OC(C)(C)C)C(=O)N(C)C.
What is the InChIKey of tert-butyl N-[3-(dimethylamino)-1-[(2S)-2-[[(2R)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate?
The InChIKey is UMYCCYNDGQPTGV-UQJFVLDMSA-N. The full InChI is InChI=1S/C23H43N5O5/c1-15(2)18(21(31)27(8)9)25-19(29)17-12-10-11-13-28(17)20(30)16(14-26(6)7)24-22(32)33-23(3,4)5/h15-18H,10-14H2,1-9H3,(H,24,32)(H,25,29)/t16?,17-,18+/m0/s1.
What are the key properties of tert-butyl N-[3-(dimethylamino)-1-[(2S)-2-[[(2R)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[3-(dimethylamino)-1-[(2S)-2-[[(2R)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate has a molecular weight of 469.63 g/mol, XLogP of 1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(dimethylamino)-1-[(2S)-2-[[(2R)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 134843494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).