tert-butyl 4-[2-[3-[(3R)-3-acetylpiperidin-1-yl]phenoxy]-2-methylpropanoyl]piperazine-1-carboxylate

C26H39N3O5 — CID 167555626

IUPACtert-butyl 4-[2-[3-[(3R)-3-acetylpiperidin-1-yl]phenoxy]-2-methylpropanoyl]piperazine-1-carboxylate
SMILESCC(=O)[C@@H]1CCCN(c2cccc(OC(C)(C)C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)C1
InChIInChI=1S/C26H39N3O5/c1-19(30)20-9-8-12-29(18-20)21-10-7-11-22(17-21)33-26(5,6)23(31)27-13-15-28(16-14-27)24(32)34-25(2,3)4/h7,10-11,17,20H,8-9,12-16,18H2,1-6H3/t20-/m1/s1
InChIKeyCOKFSTMZLQWEPB-HXUWFJFHSA-N
MW473.61 g/mol
LogP3.73
Rot. Bonds5

About tert-butyl 4-[2-[3-[(3R)-3-acetylpiperidin-1-yl]phenoxy]-2-methylpropanoyl]piperazine-1-carboxylate

tert-butyl 4-[2-[3-[(3R)-3-acetylpiperidin-1-yl]phenoxy]-2-methylpropanoyl]piperazine-1-carboxylate (PubChem CID 167555626) has the molecular formula C26H39N3O5 and a molecular weight of 473.61 g/mol. Its IUPAC name is tert-butyl 4-[2-[3-[(3R)-3-acetylpiperidin-1-yl]phenoxy]-2-methylpropanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[3-[(3R)-3-acetylpiperidin-1-yl]phenoxy]-2-methylpropanoyl]piperazine-1-carboxylate
PubChem CID167555626
Molecular FormulaC26H39N3O5
Molecular Weight473.61 g/mol
Exact Mass473.29
IUPAC Nametert-butyl 4-[2-[3-[(3R)-3-acetylpiperidin-1-yl]phenoxy]-2-methylpropanoyl]piperazine-1-carboxylate
SMILESCC(=O)[C@@H]1CCCN(c2cccc(OC(C)(C)C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)C1
InChIInChI=1S/C26H39N3O5/c1-19(30)20-9-8-12-29(18-20)21-10-7-11-22(17-21)33-26(5,6)23(31)27-13-15-28(16-14-27)24(32)34-25(2,3)4/h7,10-11,17,20H,8-9,12-16,18H2,1-6H3/t20-/m1/s1
InChIKeyCOKFSTMZLQWEPB-HXUWFJFHSA-N
XLogP3.73
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.61
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[2-[3-[(3R)-3-acetylpiperidin-1-yl]phenoxy]-2-methylpropanoyl]piperazine-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

Related Compounds

tert-butyl 4-[2-[3-[(3R)-3-formyloxypiperidin-1-yl]phenoxy]-2-methylpropanoyl]piperazine-1-carboxylate
CID 166510633
tert-butyl 4-[2-[3-[(3S)-3-[(4-bromophenyl)methyl-cyclopropylcarbamoyl]piperidin-1-yl]phenoxy]-2-methylpropanoyl]piperazine-1-carboxylate
CID 156710360
tert-butyl 4-[2-[3-[(3R)-3-[[4-bromo-2-(trifluoromethyl)phenyl]methyl-cyclopropylcarbamoyl]piperidin-1-yl]phenoxy]-2-methylpropanoyl]piperazine-1-carboxylate
CID 175825383
tert-butyl 4-[2-[3-[(3R)-3-[[4-bromo-3-(trifluoromethyl)phenyl]methyl-cyclopropylcarbamoyl]piperidin-1-yl]phenoxy]-2-methylpropanoyl]piperazine-1-carboxylate
CID 156710377
tert-butyl 4-[2-[3-[(3R)-3-[cyclopropyl-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]carbamoyl]piperidin-1-yl]phenoxy]-2-methylpropanoyl]piperazine-1-carboxylate
CID 172772338
tert-butyl 4-[2-[3-[(3R)-3-[cyclopropyl-[[4-(1H-pyrazol-4-yl)-3-(trifluoromethyl)phenyl]methyl]carbamoyl]piperidin-1-yl]phenoxy]-2-methylpropanoyl]piperazine-1-carboxylate
CID 156710270
tert-butyl 4-(3-pyrrolidin-1-ylphenyl)-1,4-diazepane-1-carboxylate
CID 163229877
tert-butyl 4-[2-[3-[(3R)-3-[cyclopropyl-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-4-(1H-pyrazol-4-yl)phenyl]methyl]carbamoyl]piperidin-1-yl]phenoxy]-2-methylpropanoyl]piperazine-1-carboxylate
CID 156710389
tert-butyl 4-[2-[3-[(3R)-3-[(4-bromophenyl)methyl-cyclopropylcarbamoyl]piperidin-1-yl]-5-cyanophenoxy]-2-methylpropanoyl]piperazine-1-carboxylate
CID 156710328
tert-butyl 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 84557684
tert-butyl 4-[2-[5-[(3R)-3-[(4-bromophenyl)methyl-cyclopropylcarbamoyl]piperidin-1-yl]-2-fluorophenoxy]-2-methylpropanoyl]piperazine-1-carboxylate
CID 156710314
tert-butyl 4-[(3-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carboxylate
CID 168512697

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[3-[(3R)-3-acetylpiperidin-1-yl]phenoxy]-2-methylpropanoyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[3-[(3R)-3-acetylpiperidin-1-yl]phenoxy]-2-methylpropanoyl]piperazine-1-carboxylate (CID 167555626) is tert-butyl 4-[2-[3-[(3R)-3-acetylpiperidin-1-yl]phenoxy]-2-methylpropanoyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[3-[(3R)-3-acetylpiperidin-1-yl]phenoxy]-2-methylpropanoyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[3-[(3R)-3-acetylpiperidin-1-yl]phenoxy]-2-methylpropanoyl]piperazine-1-carboxylate is CC(=O)[C@@H]1CCCN(c2cccc(OC(C)(C)C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)C1.
What is the InChIKey of tert-butyl 4-[2-[3-[(3R)-3-acetylpiperidin-1-yl]phenoxy]-2-methylpropanoyl]piperazine-1-carboxylate?
The InChIKey is COKFSTMZLQWEPB-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H39N3O5/c1-19(30)20-9-8-12-29(18-20)21-10-7-11-22(17-21)33-26(5,6)23(31)27-13-15-28(16-14-27)24(32)34-25(2,3)4/h7,10-11,17,20H,8-9,12-16,18H2,1-6H3/t20-/m1/s1.
What are the key properties of tert-butyl 4-[2-[3-[(3R)-3-acetylpiperidin-1-yl]phenoxy]-2-methylpropanoyl]piperazine-1-carboxylate?
tert-butyl 4-[2-[3-[(3R)-3-acetylpiperidin-1-yl]phenoxy]-2-methylpropanoyl]piperazine-1-carboxylate has a molecular weight of 473.61 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[3-[(3R)-3-acetylpiperidin-1-yl]phenoxy]-2-methylpropanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 167555626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).