N-benzyl-3-[1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]piperidin-4-yl]-N-methylpropanamide

C26H35N3O3 — CID 42516722

IUPACN-benzyl-3-[1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]piperidin-4-yl]-N-methylpropanamide
SMILESCCc1nc(C)ccc1OCC(=O)N1CCC(CCC(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C26H35N3O3/c1-4-23-24(12-10-20(2)27-23)32-19-26(31)29-16-14-21(15-17-29)11-13-25(30)28(3)18-22-8-6-5-7-9-22/h5-10,12,21H,4,11,13-19H2,1-3H3
InChIKeyILACUYUUUGGXIV-UHFFFAOYSA-N
MW437.58 g/mol
LogP4.01
Rot. Bonds9

About N-benzyl-3-[1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]piperidin-4-yl]-N-methylpropanamide

N-benzyl-3-[1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]piperidin-4-yl]-N-methylpropanamide (PubChem CID 42516722) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is N-benzyl-3-[1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]piperidin-4-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]piperidin-4-yl]-N-methylpropanamide
PubChem CID42516722
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC NameN-benzyl-3-[1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]piperidin-4-yl]-N-methylpropanamide
SMILESCCc1nc(C)ccc1OCC(=O)N1CCC(CCC(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C26H35N3O3/c1-4-23-24(12-10-20(2)27-23)32-19-26(31)29-16-14-21(15-17-29)11-13-25(30)28(3)18-22-8-6-5-7-9-22/h5-10,12,21H,4,11,13-19H2,1-3H3
InChIKeyILACUYUUUGGXIV-UHFFFAOYSA-N
XLogP4.01
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-3-[1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]piperidin-4-yl]-N-methylpropanamide with MolForge

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Related Compounds

1-[3-[benzyl(methyl)amino]piperidin-1-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethanone
CID 45244535
N-benzyl-N-methyl-3-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]propanamide
CID 42592757
N-benzyl-N-methyl-3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]propanamide
CID 42456995
1-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethanone
CID 95727847
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone
CID 99929273
3-[(3R)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]piperidin-3-yl]benzoic acid
CID 97202777
N-benzyl-N-methyl-3-[1-[(2S)-2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide
CID 42379086
N-benzyl-N-methyl-3-[1-[(2R)-oxane-2-carbonyl]piperidin-4-yl]propanamide
CID 97268661
(3S)-3-[4-[3-[benzyl(methyl)amino]-3-oxopropyl]piperidine-1-carbonyl]piperidine-1-carboxamide
CID 26393824
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
CID 70782488
N-benzyl-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 29260956
N-benzyl-N-methyl-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]propanamide
CID 26328630

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]piperidin-4-yl]-N-methylpropanamide?
The IUPAC name of N-benzyl-3-[1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]piperidin-4-yl]-N-methylpropanamide (CID 42516722) is N-benzyl-3-[1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]piperidin-4-yl]-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-[1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]piperidin-4-yl]-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-[1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]piperidin-4-yl]-N-methylpropanamide is CCc1nc(C)ccc1OCC(=O)N1CCC(CCC(=O)N(C)Cc2ccccc2)CC1.
What is the InChIKey of N-benzyl-3-[1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]piperidin-4-yl]-N-methylpropanamide?
The InChIKey is ILACUYUUUGGXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-4-23-24(12-10-20(2)27-23)32-19-26(31)29-16-14-21(15-17-29)11-13-25(30)28(3)18-22-8-6-5-7-9-22/h5-10,12,21H,4,11,13-19H2,1-3H3.
What are the key properties of N-benzyl-3-[1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]piperidin-4-yl]-N-methylpropanamide?
N-benzyl-3-[1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]piperidin-4-yl]-N-methylpropanamide has a molecular weight of 437.58 g/mol, XLogP of 4.01, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]piperidin-4-yl]-N-methylpropanamide is sourced from PubChem (CID 42516722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).