N-[[(3R,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]methoxy]-N-pyridin-2-ylacetamide

C22H29N3O2 — CID 54489590

IUPACN-[[(3R,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]methoxy]-N-pyridin-2-ylacetamide
SMILESCC(=O)N(OC[C@@H]1CCN(CCc2ccccc2)C[C@@H]1C)c1ccccn1
InChIInChI=1S/C22H29N3O2/c1-18-16-24(14-11-20-8-4-3-5-9-20)15-12-21(18)17-27-25(19(2)26)22-10-6-7-13-23-22/h3-10,13,18,21H,11-12,14-17H2,1-2H3/t18-,21-/m0/s1
InChIKeyXUTZBRLQAQJLFX-RXVVDRJESA-N
MW367.49 g/mol
LogP3.57
Rot. Bonds7

About N-[[(3R,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]methoxy]-N-pyridin-2-ylacetamide

N-[[(3R,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]methoxy]-N-pyridin-2-ylacetamide (PubChem CID 54489590) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[[(3R,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]methoxy]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[[(3R,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]methoxy]-N-pyridin-2-ylacetamide
PubChem CID54489590
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[[(3R,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]methoxy]-N-pyridin-2-ylacetamide
SMILESCC(=O)N(OC[C@@H]1CCN(CCc2ccccc2)C[C@@H]1C)c1ccccn1
InChIInChI=1S/C22H29N3O2/c1-18-16-24(14-11-20-8-4-3-5-9-20)15-12-21(18)17-27-25(19(2)26)22-10-6-7-13-23-22/h3-10,13,18,21H,11-12,14-17H2,1-2H3/t18-,21-/m0/s1
InChIKeyXUTZBRLQAQJLFX-RXVVDRJESA-N
XLogP3.57
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylthiophene-3-carboxamide
CID 70373665
ethyl N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylcarbamate
CID 21496451
N-[(3S,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide
CID 54094091
(E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylprop-2-enamide
CID 45187894
1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid
CID 115918716
N-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 167098946
N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-2-carboxamide
CID 10429616
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 45239167
N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 165365115
1-[4-[(3S,4R)-4-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]piperazin-1-yl]ethanone
CID 129462097
2-methoxy-N-[(3S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 18602333
1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one
CID 91066531

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]methoxy]-N-pyridin-2-ylacetamide?
The IUPAC name of N-[[(3R,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]methoxy]-N-pyridin-2-ylacetamide (CID 54489590) is N-[[(3R,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]methoxy]-N-pyridin-2-ylacetamide.
What is the SMILES notation for N-[[(3R,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]methoxy]-N-pyridin-2-ylacetamide?
The canonical SMILES for N-[[(3R,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]methoxy]-N-pyridin-2-ylacetamide is CC(=O)N(OC[C@@H]1CCN(CCc2ccccc2)C[C@@H]1C)c1ccccn1.
What is the InChIKey of N-[[(3R,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]methoxy]-N-pyridin-2-ylacetamide?
The InChIKey is XUTZBRLQAQJLFX-RXVVDRJESA-N. The full InChI is InChI=1S/C22H29N3O2/c1-18-16-24(14-11-20-8-4-3-5-9-20)15-12-21(18)17-27-25(19(2)26)22-10-6-7-13-23-22/h3-10,13,18,21H,11-12,14-17H2,1-2H3/t18-,21-/m0/s1.
What are the key properties of N-[[(3R,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]methoxy]-N-pyridin-2-ylacetamide?
N-[[(3R,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]methoxy]-N-pyridin-2-ylacetamide has a molecular weight of 367.49 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]methoxy]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 54489590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).