tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)piperidin-3-yl]carbamate

C14H22N4O3 — CID 165437493

IUPACtert-butyl N-[1-(5-hydroxypyrimidin-2-yl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(c2ncc(O)cn2)C1
InChIInChI=1S/C14H22N4O3/c1-14(2,3)21-13(20)17-10-5-4-6-18(9-10)12-15-7-11(19)8-16-12/h7-8,10,19H,4-6,9H2,1-3H3,(H,17,20)
InChIKeyDJWOAYOOGVZWTE-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.68
Rot. Bonds2

About tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)piperidin-3-yl]carbamate

tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)piperidin-3-yl]carbamate (PubChem CID 165437493) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-hydroxypyrimidin-2-yl)piperidin-3-yl]carbamate
PubChem CID165437493
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Nametert-butyl N-[1-(5-hydroxypyrimidin-2-yl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(c2ncc(O)cn2)C1
InChIInChI=1S/C14H22N4O3/c1-14(2,3)21-13(20)17-10-5-4-6-18(9-10)12-15-7-11(19)8-16-12/h7-8,10,19H,4-6,9H2,1-3H3,(H,17,20)
InChIKeyDJWOAYOOGVZWTE-UHFFFAOYSA-N
XLogP1.68
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[(3S)-1-(5-hydroxypyrimidin-2-yl)pyrrolidin-3-yl]carbamate
CID 165437491
tert-butyl N-[(3R)-1-(5-chloropyrimidin-2-yl)piperidin-3-yl]carbamate
CID 86329478
tert-butyl N-[(3S)-1-(5-iodopyrimidin-2-yl)piperidin-3-yl]carbamate
CID 171390444
sodium 2-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrimidine-5-carboxylate
CID 172624053
tert-butyl N-[(3R)-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]carbamate
CID 164950783
tert-butyl N-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]carbamate
CID 71632079
tert-butyl N-[(2R)-1-oxo-1-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]amino]propan-2-yl]carbamate
CID 94518257
tert-butyl N-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]carbamate
CID 97007663
tert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate
CID 99817733
tert-butyl N-[(2S)-1-oxo-1-[[(3R)-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-3-yl]amino]propan-2-yl]carbamate
CID 99935010
tert-butyl N-[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl]carbamate
CID 59332360
tert-butyl N-[(3R)-1-(5-nitro-2-pyridinyl)piperidin-3-yl]carbamate
CID 97174007

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)piperidin-3-yl]carbamate (CID 165437493) is tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)piperidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCCN(c2ncc(O)cn2)C1.
What is the InChIKey of tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)piperidin-3-yl]carbamate?
The InChIKey is DJWOAYOOGVZWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-14(2,3)21-13(20)17-10-5-4-6-18(9-10)12-15-7-11(19)8-16-12/h7-8,10,19H,4-6,9H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)piperidin-3-yl]carbamate?
tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)piperidin-3-yl]carbamate has a molecular weight of 294.35 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)piperidin-3-yl]carbamate is sourced from PubChem (CID 165437493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).