N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yloxetane-3-carboxamide

C18H28N4O2 — CID 154785490

IUPACN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yloxetane-3-carboxamide
SMILESCCc1cc(N2CCC(NC(=O)C3(C(C)C)COC3)CC2)ncn1
InChIInChI=1S/C18H28N4O2/c1-4-14-9-16(20-12-19-14)22-7-5-15(6-8-22)21-17(23)18(13(2)3)10-24-11-18/h9,12-13,15H,4-8,10-11H2,1-3H3,(H,21,23)
InChIKeyIORWKKHISRHSQR-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.80
Rot. Bonds5

About N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yloxetane-3-carboxamide

N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yloxetane-3-carboxamide (PubChem CID 154785490) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yloxetane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yloxetane-3-carboxamide
PubChem CID154785490
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yloxetane-3-carboxamide
SMILESCCc1cc(N2CCC(NC(=O)C3(C(C)C)COC3)CC2)ncn1
InChIInChI=1S/C18H28N4O2/c1-4-14-9-16(20-12-19-14)22-7-5-15(6-8-22)21-17(23)18(13(2)3)10-24-11-18/h9,12-13,15H,4-8,10-11H2,1-3H3,(H,21,23)
InChIKeyIORWKKHISRHSQR-UHFFFAOYSA-N
XLogP1.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yloxetane-3-carboxamide?
The IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yloxetane-3-carboxamide (CID 154785490) is N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yloxetane-3-carboxamide.
What is the SMILES notation for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yloxetane-3-carboxamide?
The canonical SMILES for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yloxetane-3-carboxamide is CCc1cc(N2CCC(NC(=O)C3(C(C)C)COC3)CC2)ncn1.
What is the InChIKey of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yloxetane-3-carboxamide?
The InChIKey is IORWKKHISRHSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-4-14-9-16(20-12-19-14)22-7-5-15(6-8-22)21-17(23)18(13(2)3)10-24-11-18/h9,12-13,15H,4-8,10-11H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yloxetane-3-carboxamide?
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yloxetane-3-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yloxetane-3-carboxamide is sourced from PubChem (CID 154785490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).