N-methyl-N-[[2-[1-[2-(methylamino)ethyl]piperidin-4-yl]-4-pyridinyl]methyl]-3-phenoxybenzamide

C28H34N4O2 — CID 122707126

IUPACN-methyl-N-[[2-[1-[2-(methylamino)ethyl]piperidin-4-yl]-4-pyridinyl]methyl]-3-phenoxybenzamide
SMILESCNCCN1CCC(c2cc(CN(C)C(=O)c3cccc(Oc4ccccc4)c3)ccn2)CC1
InChIInChI=1S/C28H34N4O2/c1-29-15-18-32-16-12-23(13-17-32)27-19-22(11-14-30-27)21-31(2)28(33)24-7-6-10-26(20-24)34-25-8-4-3-5-9-25/h3-11,14,19-20,23,29H,12-13,15-18,21H2,1-2H3
InChIKeyVUIITYLFSAXKIQ-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.54
Rot. Bonds9

About N-methyl-N-[[2-[1-[2-(methylamino)ethyl]piperidin-4-yl]-4-pyridinyl]methyl]-3-phenoxybenzamide

N-methyl-N-[[2-[1-[2-(methylamino)ethyl]piperidin-4-yl]-4-pyridinyl]methyl]-3-phenoxybenzamide (PubChem CID 122707126) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is N-methyl-N-[[2-[1-[2-(methylamino)ethyl]piperidin-4-yl]-4-pyridinyl]methyl]-3-phenoxybenzamide.

Molecular Properties

Compound NameN-methyl-N-[[2-[1-[2-(methylamino)ethyl]piperidin-4-yl]-4-pyridinyl]methyl]-3-phenoxybenzamide
PubChem CID122707126
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC NameN-methyl-N-[[2-[1-[2-(methylamino)ethyl]piperidin-4-yl]-4-pyridinyl]methyl]-3-phenoxybenzamide
SMILESCNCCN1CCC(c2cc(CN(C)C(=O)c3cccc(Oc4ccccc4)c3)ccn2)CC1
InChIInChI=1S/C28H34N4O2/c1-29-15-18-32-16-12-23(13-17-32)27-19-22(11-14-30-27)21-31(2)28(33)24-7-6-10-26(20-24)34-25-8-4-3-5-9-25/h3-11,14,19-20,23,29H,12-13,15-18,21H2,1-2H3
InChIKeyVUIITYLFSAXKIQ-UHFFFAOYSA-N
XLogP4.54
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-[1-[2-(methylamino)ethyl]piperidin-4-yl]-4-pyridinyl]methyl]-3-phenoxybenzamide?
The IUPAC name of N-methyl-N-[[2-[1-[2-(methylamino)ethyl]piperidin-4-yl]-4-pyridinyl]methyl]-3-phenoxybenzamide (CID 122707126) is N-methyl-N-[[2-[1-[2-(methylamino)ethyl]piperidin-4-yl]-4-pyridinyl]methyl]-3-phenoxybenzamide.
What is the SMILES notation for N-methyl-N-[[2-[1-[2-(methylamino)ethyl]piperidin-4-yl]-4-pyridinyl]methyl]-3-phenoxybenzamide?
The canonical SMILES for N-methyl-N-[[2-[1-[2-(methylamino)ethyl]piperidin-4-yl]-4-pyridinyl]methyl]-3-phenoxybenzamide is CNCCN1CCC(c2cc(CN(C)C(=O)c3cccc(Oc4ccccc4)c3)ccn2)CC1.
What is the InChIKey of N-methyl-N-[[2-[1-[2-(methylamino)ethyl]piperidin-4-yl]-4-pyridinyl]methyl]-3-phenoxybenzamide?
The InChIKey is VUIITYLFSAXKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-29-15-18-32-16-12-23(13-17-32)27-19-22(11-14-30-27)21-31(2)28(33)24-7-6-10-26(20-24)34-25-8-4-3-5-9-25/h3-11,14,19-20,23,29H,12-13,15-18,21H2,1-2H3.
What are the key properties of N-methyl-N-[[2-[1-[2-(methylamino)ethyl]piperidin-4-yl]-4-pyridinyl]methyl]-3-phenoxybenzamide?
N-methyl-N-[[2-[1-[2-(methylamino)ethyl]piperidin-4-yl]-4-pyridinyl]methyl]-3-phenoxybenzamide has a molecular weight of 458.61 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-[1-[2-(methylamino)ethyl]piperidin-4-yl]-4-pyridinyl]methyl]-3-phenoxybenzamide is sourced from PubChem (CID 122707126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).