N-[4-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-yl]acetamide

C20H25N3O2 — CID 6487780

IUPACN-[4-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-yl]acetamide
SMILESCOc1ccc(C2(NC(C)=O)CCN(Cc3cccnc3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-16(24)22-20(18-5-7-19(25-2)8-6-18)9-12-23(13-10-20)15-17-4-3-11-21-14-17/h3-8,11,14H,9-10,12-13,15H2,1-2H3,(H,22,24)
InChIKeyBLRHINVNQZOOKK-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.72
Rot. Bonds5

About N-[4-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-yl]acetamide

N-[4-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-yl]acetamide (PubChem CID 6487780) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-yl]acetamide
PubChem CID6487780
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[4-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-yl]acetamide
SMILESCOc1ccc(C2(NC(C)=O)CCN(Cc3cccnc3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-16(24)22-20(18-5-7-19(25-2)8-6-18)9-12-23(13-10-20)15-17-4-3-11-21-14-17/h3-8,11,14H,9-10,12-13,15H2,1-2H3,(H,22,24)
InChIKeyBLRHINVNQZOOKK-UHFFFAOYSA-N
XLogP2.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-yl]acetamide (CID 6487780) is N-[4-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-yl]acetamide is COc1ccc(C2(NC(C)=O)CCN(Cc3cccnc3)CC2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-yl]acetamide?
The InChIKey is BLRHINVNQZOOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-16(24)22-20(18-5-7-19(25-2)8-6-18)9-12-23(13-10-20)15-17-4-3-11-21-14-17/h3-8,11,14H,9-10,12-13,15H2,1-2H3,(H,22,24).
What are the key properties of N-[4-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-yl]acetamide?
N-[4-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-yl]acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 6487780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).