N-tert-butyl-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide

C16H26N4O2 — CID 122268290

IUPACN-tert-butyl-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
SMILESCCc1cnc(OC2CCCN(C(=O)NC(C)(C)C)C2)nc1
InChIInChI=1S/C16H26N4O2/c1-5-12-9-17-14(18-10-12)22-13-7-6-8-20(11-13)15(21)19-16(2,3)4/h9-10,13H,5-8,11H2,1-4H3,(H,19,21)
InChIKeyOYPCYYFSITVRRL-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.39
Rot. Bonds3

About N-tert-butyl-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide

N-tert-butyl-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide (PubChem CID 122268290) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-tert-butyl-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
PubChem CID122268290
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-tert-butyl-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
SMILESCCc1cnc(OC2CCCN(C(=O)NC(C)(C)C)C2)nc1
InChIInChI=1S/C16H26N4O2/c1-5-12-9-17-14(18-10-12)22-13-7-6-8-20(11-13)15(21)19-16(2,3)4/h9-10,13H,5-8,11H2,1-4H3,(H,19,21)
InChIKeyOYPCYYFSITVRRL-UHFFFAOYSA-N
XLogP2.39
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-ethylpyrimidin-2-yl)oxy-N-pentan-3-ylpiperidine-1-carboxamide
CID 122268315
4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]cyclohexan-1-one
CID 122268218
N-(2,6-difluorophenyl)-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122268310
N-(3,4-dichlorophenyl)-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122268297
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
CID 122268069
1-[4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]ethanone
CID 122268269
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 122268128
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 122268155
(2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268032
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]imidazolidin-2-one
CID 122268349
N-[(3,4-dimethoxyphenyl)methyl]-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122268321
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-phenylphenyl)methanone
CID 122268048

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide (CID 122268290) is N-tert-butyl-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide is CCc1cnc(OC2CCCN(C(=O)NC(C)(C)C)C2)nc1.
What is the InChIKey of N-tert-butyl-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide?
The InChIKey is OYPCYYFSITVRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-5-12-9-17-14(18-10-12)22-13-7-6-8-20(11-13)15(21)19-16(2,3)4/h9-10,13H,5-8,11H2,1-4H3,(H,19,21).
What are the key properties of N-tert-butyl-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide?
N-tert-butyl-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide is sourced from PubChem (CID 122268290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).