N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide

C24H33N3O2 — CID 72865460

IUPACN-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCOc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2ccccn2)CC1
InChIInChI=1S/C24H33N3O2/c1-19(2)16-27(24(28)22-9-6-7-13-25-22)17-20-11-14-26(15-12-20)18-21-8-4-5-10-23(21)29-3/h4-10,13,19-20H,11-12,14-18H2,1-3H3
InChIKeyNOSBFSGCQILBEE-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.10
Rot. Bonds8

About N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide

N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide (PubChem CID 72865460) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide
PubChem CID72865460
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCOc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2ccccn2)CC1
InChIInChI=1S/C24H33N3O2/c1-19(2)16-27(24(28)22-9-6-7-13-25-22)17-20-11-14-26(15-12-20)18-21-8-4-5-10-23(21)29-3/h4-10,13,19-20H,11-12,14-18H2,1-3H3
InChIKeyNOSBFSGCQILBEE-UHFFFAOYSA-N
XLogP4.10
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.10
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)-3-pyridin-2-ylpropanamide
CID 42522390
(E)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-4-ylprop-2-enamide
CID 42199295
N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 45173004
N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
CID 95857787
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)thian-4-amine
CID 25374699
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]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-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
CID 45174942
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]but-3-enamide
CID 42343578

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide (CID 72865460) is N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide is COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2ccccn2)CC1.
What is the InChIKey of N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is NOSBFSGCQILBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-19(2)16-27(24(28)22-9-6-7-13-25-22)17-20-11-14-26(15-12-20)18-21-8-4-5-10-23(21)29-3/h4-10,13,19-20H,11-12,14-18H2,1-3H3.
What are the key properties of N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide?
N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 4.10, 8 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)pyridine-2-carboxamide is sourced from PubChem (CID 72865460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).