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

C23H32N4O3 — CID 146361942

IUPACtert-butyl (3R)-3-[[3-(cyclopentanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccnc3[nH]cc(C(=O)C4CCCC4)c23)C1
InChIInChI=1S/C23H32N4O3/c1-23(2,3)30-22(29)27-12-6-9-16(14-27)26-18-10-11-24-21-19(18)17(13-25-21)20(28)15-7-4-5-8-15/h10-11,13,15-16H,4-9,12,14H2,1-3H3,(H2,24,25,26)/t16-/m1/s1
InChIKeyWESJVYNAXNXSDN-MRXNPFEDSA-N
MW412.53 g/mol
LogP4.75
Rot. Bonds4

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

tert-butyl (3R)-3-[[3-(cyclopentanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate (PubChem CID 146361942) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[3-(cyclopentanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[3-(cyclopentanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate
PubChem CID146361942
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Nametert-butyl (3R)-3-[[3-(cyclopentanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccnc3[nH]cc(C(=O)C4CCCC4)c23)C1
InChIInChI=1S/C23H32N4O3/c1-23(2,3)30-22(29)27-12-6-9-16(14-27)26-18-10-11-24-21-19(18)17(13-25-21)20(28)15-7-4-5-8-15/h10-11,13,15-16H,4-9,12,14H2,1-3H3,(H2,24,25,26)/t16-/m1/s1
InChIKeyWESJVYNAXNXSDN-MRXNPFEDSA-N
XLogP4.75
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl (3R)-3-[[3-(cyclopentanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

1-[3-[[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 146343865
tert-butyl 3-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 63329515
tert-butyl (3S)-3-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 26385053
tert-butyl (3S)-3-(2-bromoanilino)piperidine-1-carboxylate
CID 97056734
tert-butyl (3R)-3-[[5-(2-hydroxy-2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 118116276
tert-butyl 3-(3-chloro-2-methylanilino)piperidine-1-carboxylate
CID 103648698
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
tert-butyl 3-[[5-(2,2-difluorocyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 146365345
tert-butyl 3-[[5-(1-cyclopropylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 146365336
4-fluoro-3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]benzoic acid
CID 113227118
tert-butyl (3S)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxylate
CID 124566469
tert-butyl 3-[[6-chloro-3-(methylcarbamoyl)pyridazin-4-yl]amino]azepane-1-carboxylate
CID 164599396

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[3-(cyclopentanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[3-(cyclopentanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate (CID 146361942) is tert-butyl (3R)-3-[[3-(cyclopentanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[3-(cyclopentanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[3-(cyclopentanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccnc3[nH]cc(C(=O)C4CCCC4)c23)C1.
What is the InChIKey of tert-butyl (3R)-3-[[3-(cyclopentanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate?
The InChIKey is WESJVYNAXNXSDN-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-23(2,3)30-22(29)27-12-6-9-16(14-27)26-18-10-11-24-21-19(18)17(13-25-21)20(28)15-7-4-5-8-15/h10-11,13,15-16H,4-9,12,14H2,1-3H3,(H2,24,25,26)/t16-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[3-(cyclopentanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate?
tert-butyl (3R)-3-[[3-(cyclopentanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate has a molecular weight of 412.53 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[3-(cyclopentanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 146361942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).