N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-2-ylpropanamide

C26H37N3O2 — CID 42522390

IUPACN-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-2-ylpropanamide
SMILESCOc1ccccc1CN1CCC(CN(CC(C)C)C(=O)CCc2ccccn2)CC1
InChIInChI=1S/C26H37N3O2/c1-21(2)18-29(26(30)12-11-24-9-6-7-15-27-24)19-22-13-16-28(17-14-22)20-23-8-4-5-10-25(23)31-3/h4-10,15,21-22H,11-14,16-20H2,1-3H3
InChIKeyIVXRHKZARLELRI-UHFFFAOYSA-N
MW423.60 g/mol
LogP4.42
Rot. Bonds10

About N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-2-ylpropanamide

N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-2-ylpropanamide (PubChem CID 42522390) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-2-ylpropanamide
PubChem CID42522390
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC NameN-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-2-ylpropanamide
SMILESCOc1ccccc1CN1CCC(CN(CC(C)C)C(=O)CCc2ccccn2)CC1
InChIInChI=1S/C26H37N3O2/c1-21(2)18-29(26(30)12-11-24-9-6-7-15-27-24)19-22-13-16-28(17-14-22)20-23-8-4-5-10-25(23)31-3/h4-10,15,21-22H,11-14,16-20H2,1-3H3
InChIKeyIVXRHKZARLELRI-UHFFFAOYSA-N
XLogP4.42
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 72865460
(E)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-4-ylprop-2-enamide
CID 42199295
N-(2-methoxyethyl)-2-(2-methoxyphenyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 42458350
N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 45173004
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methylsulfanylacetamide
CID 42190581
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]but-3-enamide
CID 42343578
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 26315195
2-acetamido-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 25384935
(2S)-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 25451247
N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)thian-4-amine
CID 25374699
(4R)-1-[(2-methoxyphenyl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 129476025
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 26390566

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-2-ylpropanamide (CID 42522390) is N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-2-ylpropanamide is COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)CCc2ccccn2)CC1.
What is the InChIKey of N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-2-ylpropanamide?
The InChIKey is IVXRHKZARLELRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c1-21(2)18-29(26(30)12-11-24-9-6-7-15-27-24)19-22-13-16-28(17-14-22)20-23-8-4-5-10-25(23)31-3/h4-10,15,21-22H,11-14,16-20H2,1-3H3.
What are the key properties of N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-2-ylpropanamide?
N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-2-ylpropanamide has a molecular weight of 423.60 g/mol, XLogP of 4.42, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 42522390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).