tert-butyl 4-[2-[4-amino-3-[(4-methoxybenzoyl)amino]pyridine-2-carbonyl]-5-tert-butylphenoxy]piperidine-1-carboxylate

C34H42N4O6 — CID 68549529

IUPACtert-butyl 4-[2-[4-amino-3-[(4-methoxybenzoyl)amino]pyridine-2-carbonyl]-5-tert-butylphenoxy]piperidine-1-carboxylate
SMILESCOc1ccc(C(=O)Nc2c(N)ccnc2C(=O)c2ccc(C(C)(C)C)cc2OC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C34H42N4O6/c1-33(2,3)22-10-13-25(27(20-22)43-24-15-18-38(19-16-24)32(41)44-34(4,5)6)30(39)29-28(26(35)14-17-36-29)37-31(40)21-8-11-23(42-7)12-9-21/h8-14,17,20,24H,15-16,18-19H2,1-7H3,(H2,35,36)(H,37,40)
InChIKeyPORBOERTUIGPOP-UHFFFAOYSA-N
MW602.73 g/mol
LogP6.23
Rot. Bonds7

About tert-butyl 4-[2-[4-amino-3-[(4-methoxybenzoyl)amino]pyridine-2-carbonyl]-5-tert-butylphenoxy]piperidine-1-carboxylate

tert-butyl 4-[2-[4-amino-3-[(4-methoxybenzoyl)amino]pyridine-2-carbonyl]-5-tert-butylphenoxy]piperidine-1-carboxylate (PubChem CID 68549529) has the molecular formula C34H42N4O6 and a molecular weight of 602.73 g/mol. Its IUPAC name is tert-butyl 4-[2-[4-amino-3-[(4-methoxybenzoyl)amino]pyridine-2-carbonyl]-5-tert-butylphenoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[4-amino-3-[(4-methoxybenzoyl)amino]pyridine-2-carbonyl]-5-tert-butylphenoxy]piperidine-1-carboxylate
PubChem CID68549529
Molecular FormulaC34H42N4O6
Molecular Weight602.73 g/mol
Exact Mass602.31
IUPAC Nametert-butyl 4-[2-[4-amino-3-[(4-methoxybenzoyl)amino]pyridine-2-carbonyl]-5-tert-butylphenoxy]piperidine-1-carboxylate
SMILESCOc1ccc(C(=O)Nc2c(N)ccnc2C(=O)c2ccc(C(C)(C)C)cc2OC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C34H42N4O6/c1-33(2,3)22-10-13-25(27(20-22)43-24-15-18-38(19-16-24)32(41)44-34(4,5)6)30(39)29-28(26(35)14-17-36-29)37-31(40)21-8-11-23(42-7)12-9-21/h8-14,17,20,24H,15-16,18-19H2,1-7H3,(H2,35,36)(H,37,40)
InChIKeyPORBOERTUIGPOP-UHFFFAOYSA-N
XLogP6.23
TPSA133.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.73
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[2-[4-amino-3-[(4-methoxybenzoyl)amino]pyridine-2-carbonyl]-5-tert-butylphenoxy]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[5-methoxy-2-[[2-[(4-methoxybenzoyl)amino]phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate
CID 91306872
tert-butyl 4-(2-amino-5-methoxycarbonylphenoxy)piperidine-1-carboxylate
CID 164529973
tert-butyl 4-[5-tert-butyl-2-[[4-chloro-2-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate
CID 68532400
tert-butyl 4-(5-hydroxy-2-methoxycarbonylphenoxy)piperidine-1-carboxylate
CID 68532897
2-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid
CID 10545874
tert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate
CID 18542772
tert-butyl 4-[5-tert-butyl-2-[[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]carbamoyl]phenoxy]piperidine-1-carboxylate
CID 68535476
tert-butyl 4-[4-[1,3-didiazo-3-[2-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]-2-oxopropyl]-3-methoxyphenoxy]piperidine-1-carboxylate
CID 54050193
tert-butyl (3S)-3-(4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate
CID 58893828
tert-butyl 4-[2-[4-(4-methoxyphenyl)butyl]phenoxy]piperidine-1-carboxylate
CID 139719915
tert-butyl 4-[[4-[5-[(3-amino-5-tert-butyl-2-methoxyphenyl)carbamoyl]-2-methylphenoxy]-2-pyridinyl]methyl]piperidine-1-carboxylate
CID 67491683
tert-butyl (3S)-3-[2-amino-4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylate
CID 126674607

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[4-amino-3-[(4-methoxybenzoyl)amino]pyridine-2-carbonyl]-5-tert-butylphenoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[4-amino-3-[(4-methoxybenzoyl)amino]pyridine-2-carbonyl]-5-tert-butylphenoxy]piperidine-1-carboxylate (CID 68549529) is tert-butyl 4-[2-[4-amino-3-[(4-methoxybenzoyl)amino]pyridine-2-carbonyl]-5-tert-butylphenoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[4-amino-3-[(4-methoxybenzoyl)amino]pyridine-2-carbonyl]-5-tert-butylphenoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[4-amino-3-[(4-methoxybenzoyl)amino]pyridine-2-carbonyl]-5-tert-butylphenoxy]piperidine-1-carboxylate is COc1ccc(C(=O)Nc2c(N)ccnc2C(=O)c2ccc(C(C)(C)C)cc2OC2CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 4-[2-[4-amino-3-[(4-methoxybenzoyl)amino]pyridine-2-carbonyl]-5-tert-butylphenoxy]piperidine-1-carboxylate?
The InChIKey is PORBOERTUIGPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N4O6/c1-33(2,3)22-10-13-25(27(20-22)43-24-15-18-38(19-16-24)32(41)44-34(4,5)6)30(39)29-28(26(35)14-17-36-29)37-31(40)21-8-11-23(42-7)12-9-21/h8-14,17,20,24H,15-16,18-19H2,1-7H3,(H2,35,36)(H,37,40).
What are the key properties of tert-butyl 4-[2-[4-amino-3-[(4-methoxybenzoyl)amino]pyridine-2-carbonyl]-5-tert-butylphenoxy]piperidine-1-carboxylate?
tert-butyl 4-[2-[4-amino-3-[(4-methoxybenzoyl)amino]pyridine-2-carbonyl]-5-tert-butylphenoxy]piperidine-1-carboxylate has a molecular weight of 602.73 g/mol, XLogP of 6.23, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[4-amino-3-[(4-methoxybenzoyl)amino]pyridine-2-carbonyl]-5-tert-butylphenoxy]piperidine-1-carboxylate is sourced from PubChem (CID 68549529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).