N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide

C19H24N4O2 — CID 122571703

IUPACN-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCC(Oc3ncccn3)CC2)c(C)c1
InChIInChI=1S/C19H24N4O2/c1-14-4-5-16(15(2)12-14)13-22-19(24)23-10-6-17(7-11-23)25-18-20-8-3-9-21-18/h3-5,8-9,12,17H,6-7,10-11,13H2,1-2H3,(H,22,24)
InChIKeyIPXCTRQWLKKLQT-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.85
Rot. Bonds4

About N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide

N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide (PubChem CID 122571703) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide
PubChem CID122571703
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCC(Oc3ncccn3)CC2)c(C)c1
InChIInChI=1S/C19H24N4O2/c1-14-4-5-16(15(2)12-14)13-22-19(24)23-10-6-17(7-11-23)25-18-20-8-3-9-21-18/h3-5,8-9,12,17H,6-7,10-11,13H2,1-2H3,(H,22,24)
InChIKeyIPXCTRQWLKKLQT-UHFFFAOYSA-N
XLogP2.85
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide (CID 122571703) is N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide is Cc1ccc(CNC(=O)N2CCC(Oc3ncccn3)CC2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide?
The InChIKey is IPXCTRQWLKKLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-4-5-16(15(2)12-14)13-22-19(24)23-10-6-17(7-11-23)25-18-20-8-3-9-21-18/h3-5,8-9,12,17H,6-7,10-11,13H2,1-2H3,(H,22,24).
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide?
N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide is sourced from PubChem (CID 122571703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).