tert-butyl 4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-1-carboxylate

C16H22N4O2 — CID 168797881

IUPACtert-butyl 4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ncc3cc[nH]c3n2)CC1
InChIInChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)20-8-5-11(6-9-20)13-18-10-12-4-7-17-14(12)19-13/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,17,18,19)
InChIKeyPZSUTWBTEQRMKJ-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.07
Rot. Bonds1

About tert-butyl 4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-1-carboxylate

tert-butyl 4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-1-carboxylate (PubChem CID 168797881) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is tert-butyl 4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-1-carboxylate
PubChem CID168797881
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Nametert-butyl 4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ncc3cc[nH]c3n2)CC1
InChIInChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)20-8-5-11(6-9-20)13-18-10-12-4-7-17-14(12)19-13/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,17,18,19)
InChIKeyPZSUTWBTEQRMKJ-UHFFFAOYSA-N
XLogP3.07
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[2-[(4-methoxyphenyl)methyl]-3-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]piperidine-1-carboxylate
CID 146441127
tert-butyl 4-(4,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-3-yl)piperidine-1-carboxylate
CID 136980222
tert-butyl 4-(2-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate
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CID 46839930
tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate
CID 102136032
tert-butyl 4-[5-(4-sulfamoylphenyl)pyrimidin-2-yl]piperidine-1-carboxylate
CID 141468048
tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate
CID 167190668
tert-butyl 4-(1H-pyrazolo[4,3-c]pyridin-6-yl)piperidine-1-carboxylate
CID 168797532
tert-butyl 4-[4-(4-fluoropyrazol-1-yl)pyrimidin-2-yl]piperidine-1-carboxylate
CID 176759464
tert-butyl 4-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)piperidine-1-carboxylate;hydrochloride
CID 158592418
tert-butyl 4-[4-(methylsulfonyloxymethyl)pyrimidin-2-yl]piperidine-1-carboxylate
CID 58533472
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-1-carboxylate (CID 168797881) is tert-butyl 4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ncc3cc[nH]c3n2)CC1.
What is the InChIKey of tert-butyl 4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-1-carboxylate?
The InChIKey is PZSUTWBTEQRMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)20-8-5-11(6-9-20)13-18-10-12-4-7-17-14(12)19-13/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,17,18,19).
What are the key properties of tert-butyl 4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-1-carboxylate has a molecular weight of 302.38 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 168797881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).