tert-butyl N-[1-(6-chloro-2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]carbamate

C17H27ClN4O3 — CID 175640181

IUPACtert-butyl N-[1-(6-chloro-2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]carbamate
SMILESCC(C)Oc1nc(Cl)cc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C17H27ClN4O3/c1-11(2)24-15-20-13(18)10-14(21-15)22-8-6-12(7-9-22)19-16(23)25-17(3,4)5/h10-12H,6-9H2,1-5H3,(H,19,23)
InChIKeyJPSZVFGFXAMSMD-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.41
Rot. Bonds4

About tert-butyl N-[1-(6-chloro-2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]carbamate

tert-butyl N-[1-(6-chloro-2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]carbamate (PubChem CID 175640181) has the molecular formula C17H27ClN4O3 and a molecular weight of 370.88 g/mol. Its IUPAC name is tert-butyl N-[1-(6-chloro-2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(6-chloro-2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]carbamate
PubChem CID175640181
Molecular FormulaC17H27ClN4O3
Molecular Weight370.88 g/mol
Exact Mass370.18
IUPAC Nametert-butyl N-[1-(6-chloro-2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]carbamate
SMILESCC(C)Oc1nc(Cl)cc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C17H27ClN4O3/c1-11(2)24-15-20-13(18)10-14(21-15)22-8-6-12(7-9-22)19-16(23)25-17(3,4)5/h10-12H,6-9H2,1-5H3,(H,19,23)
InChIKeyJPSZVFGFXAMSMD-UHFFFAOYSA-N
XLogP3.41
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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tert-butyl N-[1-(4-chloro-6-methoxypyrimidin-2-yl)piperidin-4-yl]carbamate
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tert-butyl N-[1-(2-chloro-4-pyridinyl)piperidin-4-yl]carbamate
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tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate
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tert-butyl N-[(3S)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate
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tert-butyl N-[1-(6-tert-butylpyrimidin-4-yl)piperidin-4-yl]carbamate
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tert-butyl N-[1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]carbamate
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tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate
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tert-butyl N-[1-(6-pentan-3-ylpyrimidin-4-yl)piperidin-4-yl]carbamate
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tert-butyl N-[1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-chloro-2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(6-chloro-2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]carbamate (CID 175640181) is tert-butyl N-[1-(6-chloro-2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(6-chloro-2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(6-chloro-2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]carbamate is CC(C)Oc1nc(Cl)cc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl N-[1-(6-chloro-2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]carbamate?
The InChIKey is JPSZVFGFXAMSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN4O3/c1-11(2)24-15-20-13(18)10-14(21-15)22-8-6-12(7-9-22)19-16(23)25-17(3,4)5/h10-12H,6-9H2,1-5H3,(H,19,23).
What are the key properties of tert-butyl N-[1-(6-chloro-2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(6-chloro-2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]carbamate has a molecular weight of 370.88 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(6-chloro-2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 175640181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).