tert-butyl 4-[[5-carbamoyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-4-pyridinyl]amino]piperidine-1-carboxylate

C25H31N5O4 — CID 58440266

IUPACtert-butyl 4-[[5-carbamoyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-4-pyridinyl]amino]piperidine-1-carboxylate
SMILESCc1nc2cc(Cc3cc(NC4CCN(C(=O)OC(C)(C)C)CC4)c(C(N)=O)cn3)ccc2o1
InChIInChI=1S/C25H31N5O4/c1-15-28-21-12-16(5-6-22(21)33-15)11-18-13-20(19(14-27-18)23(26)31)29-17-7-9-30(10-8-17)24(32)34-25(2,3)4/h5-6,12-14,17H,7-11H2,1-4H3,(H2,26,31)(H,27,29)
InChIKeyOXISHRBMOYLAQZ-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.03
Rot. Bonds5

About tert-butyl 4-[[5-carbamoyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-4-pyridinyl]amino]piperidine-1-carboxylate

tert-butyl 4-[[5-carbamoyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-4-pyridinyl]amino]piperidine-1-carboxylate (PubChem CID 58440266) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is tert-butyl 4-[[5-carbamoyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-4-pyridinyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[5-carbamoyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-4-pyridinyl]amino]piperidine-1-carboxylate
PubChem CID58440266
Molecular FormulaC25H31N5O4
Molecular Weight465.55 g/mol
Exact Mass465.24
IUPAC Nametert-butyl 4-[[5-carbamoyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-4-pyridinyl]amino]piperidine-1-carboxylate
SMILESCc1nc2cc(Cc3cc(NC4CCN(C(=O)OC(C)(C)C)CC4)c(C(N)=O)cn3)ccc2o1
InChIInChI=1S/C25H31N5O4/c1-15-28-21-12-16(5-6-22(21)33-15)11-18-13-20(19(14-27-18)23(26)31)29-17-7-9-30(10-8-17)24(32)34-25(2,3)4/h5-6,12-14,17H,7-11H2,1-4H3,(H2,26,31)(H,27,29)
InChIKeyOXISHRBMOYLAQZ-UHFFFAOYSA-N
XLogP4.03
TPSA123.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[[5-carbamoyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-4-pyridinyl]amino]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (3S,4R)-4-[[5-carbamoyl-2-[(4-phenylsulfanylphenyl)methyl]-4-pyridinyl]amino]-3-fluoropiperidine-1-carboxylate
CID 58440317
tert-butyl 4-(1,3-benzoxazol-2-ylamino)piperidine-1-carboxylate
CID 71629873
tert-butyl 4-[(5-amino-2-chloro-4-pyridinyl)amino]piperidine-1-carboxylate
CID 163220289
tert-butyl 4-[(4-methylthiophen-3-yl)amino]piperidine-1-carboxylate
CID 167931452
tert-butyl 4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-methylanilino]piperidine-1-carboxylate
CID 168582732
tert-butyl 4-[(3,6-dichloropyridazin-4-yl)amino]piperidine-1-carboxylate;ethane
CID 144627218
tert-butyl 4-[2-(4-carbamoyl-5-methyl-1H-pyrrol-2-yl)anilino]piperidine-1-carboxylate
CID 90413447
tert-butyl 4-[5-(4-carbamoyl-3-fluorophenyl)-1,3-benzoxazol-2-yl]piperidine-1-carboxylate
CID 71114210
tert-butyl 3-[(4-amino-5-carbamoylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylate
CID 118043224
tert-butyl 4-(2-methyl-1,3-benzoxazol-6-yl)piperazine-1-carboxylate
CID 20785686
tert-butyl 4-(quinolin-3-ylamino)piperidine-1-carboxylate
CID 67196651
tert-butyl 4-[(4-methyl-3-pyridinyl)amino]azepane-1-carboxylate
CID 103982125

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[5-carbamoyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-4-pyridinyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[5-carbamoyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-4-pyridinyl]amino]piperidine-1-carboxylate (CID 58440266) is tert-butyl 4-[[5-carbamoyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-4-pyridinyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[5-carbamoyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-4-pyridinyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[5-carbamoyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-4-pyridinyl]amino]piperidine-1-carboxylate is Cc1nc2cc(Cc3cc(NC4CCN(C(=O)OC(C)(C)C)CC4)c(C(N)=O)cn3)ccc2o1.
What is the InChIKey of tert-butyl 4-[[5-carbamoyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-4-pyridinyl]amino]piperidine-1-carboxylate?
The InChIKey is OXISHRBMOYLAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-15-28-21-12-16(5-6-22(21)33-15)11-18-13-20(19(14-27-18)23(26)31)29-17-7-9-30(10-8-17)24(32)34-25(2,3)4/h5-6,12-14,17H,7-11H2,1-4H3,(H2,26,31)(H,27,29).
What are the key properties of tert-butyl 4-[[5-carbamoyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-4-pyridinyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[5-carbamoyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-4-pyridinyl]amino]piperidine-1-carboxylate has a molecular weight of 465.55 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[5-carbamoyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-4-pyridinyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 58440266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).