(2R)-N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide

C18H22N4O3 — CID 24877085

IUPAC(2R)-N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCNC[C@@H]2COc2cccnc2)cc1
InChIInChI=1S/C18H22N4O3/c1-24-16-6-4-14(5-7-16)21-18(23)22-10-9-20-11-15(22)13-25-17-3-2-8-19-12-17/h2-8,12,15,20H,9-11,13H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyKRAYIMPBSYOLTR-OAHLLOKOSA-N
MW342.40 g/mol
LogP1.97
Rot. Bonds5

About (2R)-N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide

(2R)-N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide (PubChem CID 24877085) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2R)-N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
PubChem CID24877085
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(2R)-N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCNC[C@@H]2COc2cccnc2)cc1
InChIInChI=1S/C18H22N4O3/c1-24-16-6-4-14(5-7-16)21-18(23)22-10-9-20-11-15(22)13-25-17-3-2-8-19-12-17/h2-8,12,15,20H,9-11,13H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyKRAYIMPBSYOLTR-OAHLLOKOSA-N
XLogP1.97
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 846930
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CID 3237037
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CID 162657344
CID 162657344
CID 6465574
CID 6465574
CID 6467636
CID 6467636
CID 16188723
CID 16188723
CID 762653
CID 762653
CID 10750843
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CID 11501360
CID 11501360

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide?
The IUPAC name of (2R)-N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide (CID 24877085) is (2R)-N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide.
What is the SMILES notation for (2R)-N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide?
The canonical SMILES for (2R)-N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCNC[C@@H]2COc2cccnc2)cc1.
What is the InChIKey of (2R)-N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide?
The InChIKey is KRAYIMPBSYOLTR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-24-16-6-4-14(5-7-16)21-18(23)22-10-9-20-11-15(22)13-25-17-3-2-8-19-12-17/h2-8,12,15,20H,9-11,13H2,1H3,(H,21,23)/t15-/m1/s1.
What are the key properties of (2R)-N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide?
(2R)-N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide is sourced from PubChem (CID 24877085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).