N-(2-chlorophenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide

C17H19ClN4O2 — CID 122261023

IUPACN-(2-chlorophenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
SMILESCc1nccc(OC2CCCN(C(=O)Nc3ccccc3Cl)C2)n1
InChIInChI=1S/C17H19ClN4O2/c1-12-19-9-8-16(20-12)24-13-5-4-10-22(11-13)17(23)21-15-7-3-2-6-14(15)18/h2-3,6-9,13H,4-5,10-11H2,1H3,(H,21,23)
InChIKeyOPWGFQQSRQBTLK-UHFFFAOYSA-N
MW346.82 g/mol
LogP3.51
Rot. Bonds3

About N-(2-chlorophenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide

N-(2-chlorophenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide (PubChem CID 122261023) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
PubChem CID122261023
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC NameN-(2-chlorophenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
SMILESCc1nccc(OC2CCCN(C(=O)Nc3ccccc3Cl)C2)n1
InChIInChI=1S/C17H19ClN4O2/c1-12-19-9-8-16(20-12)24-13-5-4-10-22(11-13)17(23)21-15-7-3-2-6-14(15)18/h2-3,6-9,13H,4-5,10-11H2,1H3,(H,21,23)
InChIKeyOPWGFQQSRQBTLK-UHFFFAOYSA-N
XLogP3.51
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260729
(3R)-N-(2-chlorophenyl)-3-pyridin-2-yloxypyrrolidine-1-carboxamide
CID 129417495
N-(3-methoxyphenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122243652
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 122260869
N-(2-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122258586
N-(2-methoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121162729
(3S,3aS,6aS)-N-(2-chlorophenyl)-1-methyl-3-(2-methylpyrimidin-4-yl)oxy-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
CID 146119957
(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260848
[2-methyl-1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-1-oxopropan-2-yl] acetate
CID 122260957
1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-propylpentan-1-one
CID 122260717
3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide
CID 122261563
1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-4-phenylbutan-1-one
CID 122260810

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide (CID 122261023) is N-(2-chlorophenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide is Cc1nccc(OC2CCCN(C(=O)Nc3ccccc3Cl)C2)n1.
What is the InChIKey of N-(2-chlorophenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
The InChIKey is OPWGFQQSRQBTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-12-19-9-8-16(20-12)24-13-5-4-10-22(11-13)17(23)21-15-7-3-2-6-14(15)18/h2-3,6-9,13H,4-5,10-11H2,1H3,(H,21,23).
What are the key properties of N-(2-chlorophenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
N-(2-chlorophenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide is sourced from PubChem (CID 122261023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).