N-(2-phenylethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide

C18H22N4O2 — CID 122161080

IUPACN-(2-phenylethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C18H22N4O2/c23-18(20-11-8-15-5-2-1-3-6-15)22-12-4-7-16(13-22)24-17-9-10-19-14-21-17/h1-3,5-6,9-10,14,16H,4,7-8,11-13H2,(H,20,23)
InChIKeyMGBZBJIULWOOCW-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.27
Rot. Bonds5

About N-(2-phenylethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide

N-(2-phenylethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide (PubChem CID 122161080) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(2-phenylethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide
PubChem CID122161080
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(2-phenylethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C18H22N4O2/c23-18(20-11-8-15-5-2-1-3-6-15)22-12-4-7-16(13-22)24-17-9-10-19-14-21-17/h1-3,5-6,9-10,14,16H,4,7-8,11-13H2,(H,20,23)
InChIKeyMGBZBJIULWOOCW-UHFFFAOYSA-N
XLogP2.27
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260053
N-(2-methoxyethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260046
5-phenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)pentan-1-one
CID 122259960
N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260044
2,2-diphenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161054
(3S)-N-(2-phenylethyl)-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide
CID 164630557
(2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259764
2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122259749
3-(4,6-dimethylpyrimidin-2-yl)oxy-N-(3-phenylpropyl)piperidine-1-carboxamide
CID 122258099
2-(2-methylphenoxy)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161052
2-(benzimidazol-1-yl)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161041
3-(5-bromopyrimidin-2-yl)oxy-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 126850690

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide?
The IUPAC name of N-(2-phenylethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide (CID 122161080) is N-(2-phenylethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide is O=C(NCCc1ccccc1)N1CCCC(Oc2ccncn2)C1.
What is the InChIKey of N-(2-phenylethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide?
The InChIKey is MGBZBJIULWOOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(20-11-8-15-5-2-1-3-6-15)22-12-4-7-16(13-22)24-17-9-10-19-14-21-17/h1-3,5-6,9-10,14,16H,4,7-8,11-13H2,(H,20,23).
What are the key properties of N-(2-phenylethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide?
N-(2-phenylethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide is sourced from PubChem (CID 122161080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).