tert-butyl 4-(3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl)piperidine-1-carboxylate

C20H29N3O2 — CID 155226203

IUPACtert-butyl 4-(3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl)piperidine-1-carboxylate
SMILESCC(C)c1c[nH]c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)cc12
InChIInChI=1S/C20H29N3O2/c1-13(2)16-11-21-18-12-22-17(10-15(16)18)14-6-8-23(9-7-14)19(24)25-20(3,4)5/h10-14,21H,6-9H2,1-5H3
InChIKeyPAUKQIYKUPHNHF-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.80
Rot. Bonds2

About tert-butyl 4-(3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl)piperidine-1-carboxylate

tert-butyl 4-(3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl)piperidine-1-carboxylate (PubChem CID 155226203) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is tert-butyl 4-(3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl)piperidine-1-carboxylate
PubChem CID155226203
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Nametert-butyl 4-(3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl)piperidine-1-carboxylate
SMILESCC(C)c1c[nH]c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)cc12
InChIInChI=1S/C20H29N3O2/c1-13(2)16-11-21-18-12-22-17(10-15(16)18)14-6-8-23(9-7-14)19(24)25-20(3,4)5/h10-14,21H,6-9H2,1-5H3
InChIKeyPAUKQIYKUPHNHF-UHFFFAOYSA-N
XLogP4.80
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(1H-pyrazolo[4,3-c]pyridin-6-yl)piperidine-1-carboxylate
CID 168797532
tert-butyl 4-[6-(dimethylamino)-1H-pyrrolo[3,2-c]pyridin-3-yl]piperidine-1-carboxylate
CID 69184354
tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate
CID 167190668
tert-butyl 4-(2-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate
CID 164662482
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-[2-(2-cyclopropyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate
CID 134330040
4-[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-pyridinyl]benzoic acid
CID 175660741
tert-butyl 4-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate
CID 163230393
tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;oxalic acid
CID 74892502
tert-butyl 4-(4-carbamoyl-2-pyridinyl)piperidine-1-carboxylate
CID 175285120
tert-butyl 4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxylate
CID 22714417
tert-butyl 4-(2-iodo-1-methylimidazol-4-yl)piperidine-1-carboxylate
CID 129139631

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl)piperidine-1-carboxylate (CID 155226203) is tert-butyl 4-(3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl)piperidine-1-carboxylate is CC(C)c1c[nH]c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)cc12.
What is the InChIKey of tert-butyl 4-(3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl)piperidine-1-carboxylate?
The InChIKey is PAUKQIYKUPHNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-13(2)16-11-21-18-12-22-17(10-15(16)18)14-6-8-23(9-7-14)19(24)25-20(3,4)5/h10-14,21H,6-9H2,1-5H3.
What are the key properties of tert-butyl 4-(3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl)piperidine-1-carboxylate?
tert-butyl 4-(3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl)piperidine-1-carboxylate has a molecular weight of 343.47 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 155226203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).