1-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide

C19H24N4O2 — CID 46907750

IUPAC1-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCC(C)Oc1cccc(-c2ccnc(N3CCC(C(N)=O)CC3)n2)c1
InChIInChI=1S/C19H24N4O2/c1-13(2)25-16-5-3-4-15(12-16)17-6-9-21-19(22-17)23-10-7-14(8-11-23)18(20)24/h3-6,9,12-14H,7-8,10-11H2,1-2H3,(H2,20,24)
InChIKeyFEZHSOQGVVCFMF-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.63
Rot. Bonds5

About 1-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide

1-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 46907750) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID46907750
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCC(C)Oc1cccc(-c2ccnc(N3CCC(C(N)=O)CC3)n2)c1
InChIInChI=1S/C19H24N4O2/c1-13(2)25-16-5-3-4-15(12-16)17-6-9-21-19(22-17)23-10-7-14(8-11-23)18(20)24/h3-6,9,12-14H,7-8,10-11H2,1-2H3,(H2,20,24)
InChIKeyFEZHSOQGVVCFMF-UHFFFAOYSA-N
XLogP2.63
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide (CID 46907750) is 1-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide is CC(C)Oc1cccc(-c2ccnc(N3CCC(C(N)=O)CC3)n2)c1.
What is the InChIKey of 1-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is FEZHSOQGVVCFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13(2)25-16-5-3-4-15(12-16)17-6-9-21-19(22-17)23-10-7-14(8-11-23)18(20)24/h3-6,9,12-14H,7-8,10-11H2,1-2H3,(H2,20,24).
What are the key properties of 1-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide?
1-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46907750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).