N-(3,4-dichlorophenyl)-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide

C18H20Cl2N4O2 — CID 122268297

IUPACN-(3,4-dichlorophenyl)-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
SMILESCCc1cnc(OC2CCCN(C(=O)Nc3ccc(Cl)c(Cl)c3)C2)nc1
InChIInChI=1S/C18H20Cl2N4O2/c1-2-12-9-21-17(22-10-12)26-14-4-3-7-24(11-14)18(25)23-13-5-6-15(19)16(20)8-13/h5-6,8-10,14H,2-4,7,11H2,1H3,(H,23,25)
InChIKeyZHZMRGQOIDYSOM-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.42
Rot. Bonds4

About N-(3,4-dichlorophenyl)-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide

N-(3,4-dichlorophenyl)-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide (PubChem CID 122268297) has the molecular formula C18H20Cl2N4O2 and a molecular weight of 395.29 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
PubChem CID122268297
Molecular FormulaC18H20Cl2N4O2
Molecular Weight395.29 g/mol
Exact Mass394.10
IUPAC NameN-(3,4-dichlorophenyl)-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
SMILESCCc1cnc(OC2CCCN(C(=O)Nc3ccc(Cl)c(Cl)c3)C2)nc1
InChIInChI=1S/C18H20Cl2N4O2/c1-2-12-9-21-17(22-10-12)26-14-4-3-7-24(11-14)18(25)23-13-5-6-15(19)16(20)8-13/h5-6,8-10,14H,2-4,7,11H2,1H3,(H,23,25)
InChIKeyZHZMRGQOIDYSOM-UHFFFAOYSA-N
XLogP4.42
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122268310
N-tert-butyl-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122268290
3-(5-ethylpyrimidin-2-yl)oxy-N-pentan-3-ylpiperidine-1-carboxamide
CID 122268315
N-(4-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122258569
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
N-[(3,4-dimethoxyphenyl)methyl]-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122268321
(3,4-dimethoxyphenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268015
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 122268155
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-methylphenyl)methanone
CID 122268002
4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]cyclohexan-1-one
CID 122268218
(2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268032

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide (CID 122268297) is N-(3,4-dichlorophenyl)-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide is CCc1cnc(OC2CCCN(C(=O)Nc3ccc(Cl)c(Cl)c3)C2)nc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide?
The InChIKey is ZHZMRGQOIDYSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O2/c1-2-12-9-21-17(22-10-12)26-14-4-3-7-24(11-14)18(25)23-13-5-6-15(19)16(20)8-13/h5-6,8-10,14H,2-4,7,11H2,1H3,(H,23,25).
What are the key properties of N-(3,4-dichlorophenyl)-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide?
N-(3,4-dichlorophenyl)-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide has a molecular weight of 395.29 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide is sourced from PubChem (CID 122268297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).