2-methylpropyl N-[1-[4-(2-hydroxyphenyl)pyrimidin-2-yl]piperidin-4-yl]carbamate

C20H26N4O3 — CID 135547509

IUPAC2-methylpropyl N-[1-[4-(2-hydroxyphenyl)pyrimidin-2-yl]piperidin-4-yl]carbamate
SMILESCC(C)COC(=O)NC1CCN(c2nccc(-c3ccccc3O)n2)CC1
InChIInChI=1S/C20H26N4O3/c1-14(2)13-27-20(26)22-15-8-11-24(12-9-15)19-21-10-7-17(23-19)16-5-3-4-6-18(16)25/h3-7,10,14-15,25H,8-9,11-13H2,1-2H3,(H,22,26)
InChIKeyRXOSWZJYGQGSPY-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.20
Rot. Bonds5

About 2-methylpropyl N-[1-[4-(2-hydroxyphenyl)pyrimidin-2-yl]piperidin-4-yl]carbamate

2-methylpropyl N-[1-[4-(2-hydroxyphenyl)pyrimidin-2-yl]piperidin-4-yl]carbamate (PubChem CID 135547509) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-methylpropyl N-[1-[4-(2-hydroxyphenyl)pyrimidin-2-yl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[1-[4-(2-hydroxyphenyl)pyrimidin-2-yl]piperidin-4-yl]carbamate
PubChem CID135547509
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-methylpropyl N-[1-[4-(2-hydroxyphenyl)pyrimidin-2-yl]piperidin-4-yl]carbamate
SMILESCC(C)COC(=O)NC1CCN(c2nccc(-c3ccccc3O)n2)CC1
InChIInChI=1S/C20H26N4O3/c1-14(2)13-27-20(26)22-15-8-11-24(12-9-15)19-21-10-7-17(23-19)16-5-3-4-6-18(16)25/h3-7,10,14-15,25H,8-9,11-13H2,1-2H3,(H,22,26)
InChIKeyRXOSWZJYGQGSPY-UHFFFAOYSA-N
XLogP3.20
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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propyl N-(1-isoquinolin-1-ylpiperidin-4-yl)carbamate
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2-methylpropyl N-[1-(2-methylpropanoyl)piperidin-4-yl]carbamate
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2-methylpropyl N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]carbamate
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CID 55705535
2-[2-(1,4-diazepan-1-yl)pyrimidin-4-yl]phenol
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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[1-[4-(2-hydroxyphenyl)pyrimidin-2-yl]piperidin-4-yl]carbamate?
The IUPAC name of 2-methylpropyl N-[1-[4-(2-hydroxyphenyl)pyrimidin-2-yl]piperidin-4-yl]carbamate (CID 135547509) is 2-methylpropyl N-[1-[4-(2-hydroxyphenyl)pyrimidin-2-yl]piperidin-4-yl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[1-[4-(2-hydroxyphenyl)pyrimidin-2-yl]piperidin-4-yl]carbamate?
The canonical SMILES for 2-methylpropyl N-[1-[4-(2-hydroxyphenyl)pyrimidin-2-yl]piperidin-4-yl]carbamate is CC(C)COC(=O)NC1CCN(c2nccc(-c3ccccc3O)n2)CC1.
What is the InChIKey of 2-methylpropyl N-[1-[4-(2-hydroxyphenyl)pyrimidin-2-yl]piperidin-4-yl]carbamate?
The InChIKey is RXOSWZJYGQGSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14(2)13-27-20(26)22-15-8-11-24(12-9-15)19-21-10-7-17(23-19)16-5-3-4-6-18(16)25/h3-7,10,14-15,25H,8-9,11-13H2,1-2H3,(H,22,26).
What are the key properties of 2-methylpropyl N-[1-[4-(2-hydroxyphenyl)pyrimidin-2-yl]piperidin-4-yl]carbamate?
2-methylpropyl N-[1-[4-(2-hydroxyphenyl)pyrimidin-2-yl]piperidin-4-yl]carbamate has a molecular weight of 370.45 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[1-[4-(2-hydroxyphenyl)pyrimidin-2-yl]piperidin-4-yl]carbamate is sourced from PubChem (CID 135547509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).