(2R)-1-[4-(4-methoxypyrimidin-2-yl)benzoyl]-N-methylpiperidine-2-carboxamide

C19H22N4O3 — CID 126429824

IUPAC(2R)-1-[4-(4-methoxypyrimidin-2-yl)benzoyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)[C@H]1CCCCN1C(=O)c1ccc(-c2nccc(OC)n2)cc1
InChIInChI=1S/C19H22N4O3/c1-20-18(24)15-5-3-4-12-23(15)19(25)14-8-6-13(7-9-14)17-21-11-10-16(22-17)26-2/h6-11,15H,3-5,12H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyCLBPRSSPJJDTHQ-OAHLLOKOSA-N
MW354.41 g/mol
LogP1.89
Rot. Bonds4

About (2R)-1-[4-(4-methoxypyrimidin-2-yl)benzoyl]-N-methylpiperidine-2-carboxamide

(2R)-1-[4-(4-methoxypyrimidin-2-yl)benzoyl]-N-methylpiperidine-2-carboxamide (PubChem CID 126429824) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (2R)-1-[4-(4-methoxypyrimidin-2-yl)benzoyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[4-(4-methoxypyrimidin-2-yl)benzoyl]-N-methylpiperidine-2-carboxamide
PubChem CID126429824
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name(2R)-1-[4-(4-methoxypyrimidin-2-yl)benzoyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)[C@H]1CCCCN1C(=O)c1ccc(-c2nccc(OC)n2)cc1
InChIInChI=1S/C19H22N4O3/c1-20-18(24)15-5-3-4-12-23(15)19(25)14-8-6-13(7-9-14)17-21-11-10-16(22-17)26-2/h6-11,15H,3-5,12H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyCLBPRSSPJJDTHQ-OAHLLOKOSA-N
XLogP1.89
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(4-methoxypyrimidin-2-yl)benzoyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of (2R)-1-[4-(4-methoxypyrimidin-2-yl)benzoyl]-N-methylpiperidine-2-carboxamide (CID 126429824) is (2R)-1-[4-(4-methoxypyrimidin-2-yl)benzoyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[4-(4-methoxypyrimidin-2-yl)benzoyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-1-[4-(4-methoxypyrimidin-2-yl)benzoyl]-N-methylpiperidine-2-carboxamide is CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(-c2nccc(OC)n2)cc1.
What is the InChIKey of (2R)-1-[4-(4-methoxypyrimidin-2-yl)benzoyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is CLBPRSSPJJDTHQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-20-18(24)15-5-3-4-12-23(15)19(25)14-8-6-13(7-9-14)17-21-11-10-16(22-17)26-2/h6-11,15H,3-5,12H2,1-2H3,(H,20,24)/t15-/m1/s1.
What are the key properties of (2R)-1-[4-(4-methoxypyrimidin-2-yl)benzoyl]-N-methylpiperidine-2-carboxamide?
(2R)-1-[4-(4-methoxypyrimidin-2-yl)benzoyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(4-methoxypyrimidin-2-yl)benzoyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 126429824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).