N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide

C17H26N4O3 — CID 122261562

IUPACN-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
SMILESCOc1nccc(OC2CCCN(C(=O)NC3CCCCC3)C2)n1
InChIInChI=1S/C17H26N4O3/c1-23-16-18-10-9-15(20-16)24-14-8-5-11-21(12-14)17(22)19-13-6-3-2-4-7-13/h9-10,13-14H,2-8,11-12H2,1H3,(H,19,22)
InChIKeyINRFNGAHIBIYFE-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.37
Rot. Bonds4

About N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide

N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide (PubChem CID 122261562) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
PubChem CID122261562
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
SMILESCOc1nccc(OC2CCCN(C(=O)NC3CCCCC3)C2)n1
InChIInChI=1S/C17H26N4O3/c1-23-16-18-10-9-15(20-16)24-14-8-5-11-21(12-14)17(22)19-13-6-3-2-4-7-13/h9-10,13-14H,2-8,11-12H2,1H3,(H,19,22)
InChIKeyINRFNGAHIBIYFE-UHFFFAOYSA-N
XLogP2.37
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121161621
3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide
CID 122261563
1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 122261229
N-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261595
2-chloro-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one
CID 122261251
2-cyclopentylsulfanyl-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122261170
3-(2-methoxypyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 122261579
(4-bromophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261283
4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 122261546
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone
CID 122261254
(3,4-dimethylphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261258
[4-(dimethylamino)phenyl]-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261412

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide (CID 122261562) is N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide is COc1nccc(OC2CCCN(C(=O)NC3CCCCC3)C2)n1.
What is the InChIKey of N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide?
The InChIKey is INRFNGAHIBIYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-23-16-18-10-9-15(20-16)24-14-8-5-11-21(12-14)17(22)19-13-6-3-2-4-7-13/h9-10,13-14H,2-8,11-12H2,1H3,(H,19,22).
What are the key properties of N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide?
N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide is sourced from PubChem (CID 122261562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).