tert-butyl 4-[4-[2-amino-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-4-yl]acetyl]piperazin-1-yl]piperidine-1-carboxylate

C27H49N5O5 — CID 139782794

IUPACtert-butyl 4-[4-[2-amino-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-4-yl]acetyl]piperazin-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)CN1CCC(C(N)C(=O)N2CCN(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1
InChIInChI=1S/C27H49N5O5/c1-26(2,3)36-22(33)19-29-11-7-20(8-12-29)23(28)24(34)31-17-15-30(16-18-31)21-9-13-32(14-10-21)25(35)37-27(4,5)6/h20-21,23H,7-19,28H2,1-6H3
InChIKeyBAJMCINFTLSYOE-UHFFFAOYSA-N
MW523.72 g/mol
LogP1.91
Rot. Bonds5

About tert-butyl 4-[4-[2-amino-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-4-yl]acetyl]piperazin-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-[2-amino-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-4-yl]acetyl]piperazin-1-yl]piperidine-1-carboxylate (PubChem CID 139782794) has the molecular formula C27H49N5O5 and a molecular weight of 523.72 g/mol. Its IUPAC name is tert-butyl 4-[4-[2-amino-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-4-yl]acetyl]piperazin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[2-amino-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-4-yl]acetyl]piperazin-1-yl]piperidine-1-carboxylate
PubChem CID139782794
Molecular FormulaC27H49N5O5
Molecular Weight523.72 g/mol
Exact Mass523.37
IUPAC Nametert-butyl 4-[4-[2-amino-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-4-yl]acetyl]piperazin-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)CN1CCC(C(N)C(=O)N2CCN(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1
InChIInChI=1S/C27H49N5O5/c1-26(2,3)36-22(33)19-29-11-7-20(8-12-29)23(28)24(34)31-17-15-30(16-18-31)21-9-13-32(14-10-21)25(35)37-27(4,5)6/h20-21,23H,7-19,28H2,1-6H3
InChIKeyBAJMCINFTLSYOE-UHFFFAOYSA-N
XLogP1.91
TPSA108.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.72
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[4-[2-amino-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-4-yl]acetyl]piperazin-1-yl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[2-amino-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-4-yl]acetyl]piperazin-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[2-amino-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-4-yl]acetyl]piperazin-1-yl]piperidine-1-carboxylate (CID 139782794) is tert-butyl 4-[4-[2-amino-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-4-yl]acetyl]piperazin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[2-amino-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-4-yl]acetyl]piperazin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[2-amino-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-4-yl]acetyl]piperazin-1-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)CN1CCC(C(N)C(=O)N2CCN(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1.
What is the InChIKey of tert-butyl 4-[4-[2-amino-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-4-yl]acetyl]piperazin-1-yl]piperidine-1-carboxylate?
The InChIKey is BAJMCINFTLSYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H49N5O5/c1-26(2,3)36-22(33)19-29-11-7-20(8-12-29)23(28)24(34)31-17-15-30(16-18-31)21-9-13-32(14-10-21)25(35)37-27(4,5)6/h20-21,23H,7-19,28H2,1-6H3.
What are the key properties of tert-butyl 4-[4-[2-amino-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-4-yl]acetyl]piperazin-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-[2-amino-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-4-yl]acetyl]piperazin-1-yl]piperidine-1-carboxylate has a molecular weight of 523.72 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[2-amino-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-4-yl]acetyl]piperazin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 139782794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).