N-[(2,4-dichlorophenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide

C17H18Cl2N4O2 — CID 24748513

IUPACN-[(2,4-dichlorophenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C17H18Cl2N4O2/c18-13-3-2-12(15(19)10-13)11-22-17(24)23-8-4-14(5-9-23)25-16-20-6-1-7-21-16/h1-3,6-7,10,14H,4-5,8-9,11H2,(H,22,24)
InChIKeyUZEPPAOAIDTLTK-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.54
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide

N-[(2,4-dichlorophenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide (PubChem CID 24748513) has the molecular formula C17H18Cl2N4O2 and a molecular weight of 381.26 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide
PubChem CID24748513
Molecular FormulaC17H18Cl2N4O2
Molecular Weight381.26 g/mol
Exact Mass380.08
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C17H18Cl2N4O2/c18-13-3-2-12(15(19)10-13)11-22-17(24)23-8-4-14(5-9-23)25-16-20-6-1-7-21-16/h1-3,6-7,10,14H,4-5,8-9,11H2,(H,22,24)
InChIKeyUZEPPAOAIDTLTK-UHFFFAOYSA-N
XLogP3.54
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide (CID 24748513) is N-[(2,4-dichlorophenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)N1CCC(Oc2ncccn2)CC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide?
The InChIKey is UZEPPAOAIDTLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O2/c18-13-3-2-12(15(19)10-13)11-22-17(24)23-8-4-14(5-9-23)25-16-20-6-1-7-21-16/h1-3,6-7,10,14H,4-5,8-9,11H2,(H,22,24).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide has a molecular weight of 381.26 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide is sourced from PubChem (CID 24748513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).