methyl (4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate

C16H22N4O2 — CID 59659083

IUPACmethyl (4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CC[C@@H](C)C(N(C)c2ccnc3[nH]ccc23)C1
InChIInChI=1S/C16H22N4O2/c1-11-6-9-20(16(21)22-3)10-14(11)19(2)13-5-8-18-15-12(13)4-7-17-15/h4-5,7-8,11,14H,6,9-10H2,1-3H3,(H,17,18)/t11-,14?/m1/s1
InChIKeyQEUVKNJJFJOULM-YNODCEANSA-N
MW302.38 g/mol
LogP2.48
Rot. Bonds2

About methyl (4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate

methyl (4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate (PubChem CID 59659083) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is methyl (4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate
PubChem CID59659083
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Namemethyl (4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CC[C@@H](C)C(N(C)c2ccnc3[nH]ccc23)C1
InChIInChI=1S/C16H22N4O2/c1-11-6-9-20(16(21)22-3)10-14(11)19(2)13-5-8-18-15-12(13)4-7-17-15/h4-5,7-8,11,14H,6,9-10H2,1-3H3,(H,17,18)/t11-,14?/m1/s1
InChIKeyQEUVKNJJFJOULM-YNODCEANSA-N
XLogP2.48
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate?
The IUPAC name of methyl (4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate (CID 59659083) is methyl (4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for methyl (4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for methyl (4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate is COC(=O)N1CC[C@@H](C)C(N(C)c2ccnc3[nH]ccc23)C1.
What is the InChIKey of methyl (4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate?
The InChIKey is QEUVKNJJFJOULM-YNODCEANSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11-6-9-20(16(21)22-3)10-14(11)19(2)13-5-8-18-15-12(13)4-7-17-15/h4-5,7-8,11,14H,6,9-10H2,1-3H3,(H,17,18)/t11-,14?/m1/s1.
What are the key properties of methyl (4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate?
methyl (4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate has a molecular weight of 302.38 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 59659083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).