(1-furo[2,3-d]pyrimidin-4-ylpiperidin-4-yl) carbamate

C12H14N4O3 — CID 175570072

IUPAC(1-furo[2,3-d]pyrimidin-4-ylpiperidin-4-yl) carbamate
SMILESNC(=O)OC1CCN(c2ncnc3occc23)CC1
InChIInChI=1S/C12H14N4O3/c13-12(17)19-8-1-4-16(5-2-8)10-9-3-6-18-11(9)15-7-14-10/h3,6-8H,1-2,4-5H2,(H2,13,17)
InChIKeyQMKDZMIRPNTTCR-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.29
Rot. Bonds2

About (1-furo[2,3-d]pyrimidin-4-ylpiperidin-4-yl) carbamate

(1-furo[2,3-d]pyrimidin-4-ylpiperidin-4-yl) carbamate (PubChem CID 175570072) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is (1-furo[2,3-d]pyrimidin-4-ylpiperidin-4-yl) carbamate.

Molecular Properties

Compound Name(1-furo[2,3-d]pyrimidin-4-ylpiperidin-4-yl) carbamate
PubChem CID175570072
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name(1-furo[2,3-d]pyrimidin-4-ylpiperidin-4-yl) carbamate
SMILESNC(=O)OC1CCN(c2ncnc3occc23)CC1
InChIInChI=1S/C12H14N4O3/c13-12(17)19-8-1-4-16(5-2-8)10-9-3-6-18-11(9)15-7-14-10/h3,6-8H,1-2,4-5H2,(H2,13,17)
InChIKeyQMKDZMIRPNTTCR-UHFFFAOYSA-N
XLogP1.29
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(7-bromothieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl] carbamate
CID 175315779
(1-pyrimidin-4-ylpiperidin-4-yl) carbamate
CID 118050075
[1-(6-aminoisoquinolin-1-yl)pyrrolidin-3-yl] carbamate
CID 175225949
[1-(2-amino-4-pyridinyl)piperidin-4-yl] carbamate
CID 175111537
[1-(3-carbamoyl-6-chloro-2-pyridinyl)piperidin-4-yl] carbamate
CID 175516266
[1-(6-nitro-3-pyridinyl)piperidin-4-yl] carbamate
CID 139390117
4-[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444254
1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 2098585
1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 20922540
[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl] carbamate
CID 170162412
4-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444242
[1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-nitropyrimidin-4-yl]piperidin-4-yl] carbamate
CID 69378316

Frequently Asked Questions

What is the IUPAC name of (1-furo[2,3-d]pyrimidin-4-ylpiperidin-4-yl) carbamate?
The IUPAC name of (1-furo[2,3-d]pyrimidin-4-ylpiperidin-4-yl) carbamate (CID 175570072) is (1-furo[2,3-d]pyrimidin-4-ylpiperidin-4-yl) carbamate.
What is the SMILES notation for (1-furo[2,3-d]pyrimidin-4-ylpiperidin-4-yl) carbamate?
The canonical SMILES for (1-furo[2,3-d]pyrimidin-4-ylpiperidin-4-yl) carbamate is NC(=O)OC1CCN(c2ncnc3occc23)CC1.
What is the InChIKey of (1-furo[2,3-d]pyrimidin-4-ylpiperidin-4-yl) carbamate?
The InChIKey is QMKDZMIRPNTTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c13-12(17)19-8-1-4-16(5-2-8)10-9-3-6-18-11(9)15-7-14-10/h3,6-8H,1-2,4-5H2,(H2,13,17).
What are the key properties of (1-furo[2,3-d]pyrimidin-4-ylpiperidin-4-yl) carbamate?
(1-furo[2,3-d]pyrimidin-4-ylpiperidin-4-yl) carbamate has a molecular weight of 262.27 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-furo[2,3-d]pyrimidin-4-ylpiperidin-4-yl) carbamate is sourced from PubChem (CID 175570072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).