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

C17H18Cl2N4O2 — CID 121162726

IUPACN-(3,4-dichlorophenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
SMILESCc1nccc(OC2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)n1
InChIInChI=1S/C17H18Cl2N4O2/c1-11-20-7-4-16(21-11)25-13-5-8-23(9-6-13)17(24)22-12-2-3-14(18)15(19)10-12/h2-4,7,10,13H,5-6,8-9H2,1H3,(H,22,24)
InChIKeyPJZNTHMXDCNCAO-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.17
Rot. Bonds3

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

N-(3,4-dichlorophenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide (PubChem CID 121162726) has the molecular formula C17H18Cl2N4O2 and a molecular weight of 381.26 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
PubChem CID121162726
Molecular FormulaC17H18Cl2N4O2
Molecular Weight381.26 g/mol
Exact Mass380.08
IUPAC NameN-(3,4-dichlorophenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
SMILESCc1nccc(OC2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)n1
InChIInChI=1S/C17H18Cl2N4O2/c1-11-20-7-4-16(21-11)25-13-5-8-23(9-6-13)17(24)22-12-2-3-14(18)15(19)10-12/h2-4,7,10,13H,5-6,8-9H2,1H3,(H,22,24)
InChIKeyPJZNTHMXDCNCAO-UHFFFAOYSA-N
XLogP4.17
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-butoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121162767
N-(2-methoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121162729
N-(2-chlorophenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261023
N-(3-methoxyphenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122243652
1-[4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 121162378
2-methoxy-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162400
(3,5-dimethoxyphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162428
(3-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162413
N-(4-butoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121161062
(4-iodophenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162620
2-cyclopentyl-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162402
(3-fluoro-4-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162658

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide (CID 121162726) is N-(3,4-dichlorophenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide is Cc1nccc(OC2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)n1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
The InChIKey is PJZNTHMXDCNCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O2/c1-11-20-7-4-16(21-11)25-13-5-8-23(9-6-13)17(24)22-12-2-3-14(18)15(19)10-12/h2-4,7,10,13H,5-6,8-9H2,1H3,(H,22,24).
What are the key properties of N-(3,4-dichlorophenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
N-(3,4-dichlorophenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide has a molecular weight of 381.26 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide is sourced from PubChem (CID 121162726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).