2-[methyl(pyridin-2-ylmethyl)amino]-N-(2-phenyl-2-piperidin-1-ylethyl)acetamide

C22H30N4O — CID 118779332

IUPAC2-[methyl(pyridin-2-ylmethyl)amino]-N-(2-phenyl-2-piperidin-1-ylethyl)acetamide
SMILESCN(CC(=O)NCC(c1ccccc1)N1CCCCC1)Cc1ccccn1
InChIInChI=1S/C22H30N4O/c1-25(17-20-12-6-7-13-23-20)18-22(27)24-16-21(19-10-4-2-5-11-19)26-14-8-3-9-15-26/h2,4-7,10-13,21H,3,8-9,14-18H2,1H3,(H,24,27)
InChIKeyRXKKWKMTVRPJBF-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.86
Rot. Bonds8

About 2-[methyl(pyridin-2-ylmethyl)amino]-N-(2-phenyl-2-piperidin-1-ylethyl)acetamide

2-[methyl(pyridin-2-ylmethyl)amino]-N-(2-phenyl-2-piperidin-1-ylethyl)acetamide (PubChem CID 118779332) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-[methyl(pyridin-2-ylmethyl)amino]-N-(2-phenyl-2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[methyl(pyridin-2-ylmethyl)amino]-N-(2-phenyl-2-piperidin-1-ylethyl)acetamide
PubChem CID118779332
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name2-[methyl(pyridin-2-ylmethyl)amino]-N-(2-phenyl-2-piperidin-1-ylethyl)acetamide
SMILESCN(CC(=O)NCC(c1ccccc1)N1CCCCC1)Cc1ccccn1
InChIInChI=1S/C22H30N4O/c1-25(17-20-12-6-7-13-23-20)18-22(27)24-16-21(19-10-4-2-5-11-19)26-14-8-3-9-15-26/h2,4-7,10-13,21H,3,8-9,14-18H2,1H3,(H,24,27)
InChIKeyRXKKWKMTVRPJBF-UHFFFAOYSA-N
XLogP2.86
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-(propan-2-ylamino)acetamide
CID 61249970
3-acetamido-N-(2-phenyl-2-piperidin-1-ylethyl)propanamide
CID 110355080
1-methyl-3-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(pyridin-2-ylmethyl)urea
CID 125447292
1-methyl-3-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(pyridin-2-ylmethyl)urea
CID 125447291
2-(dimethylamino)-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 47839657
1-cyclohexyl-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 104750407
N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide
CID 34952082
2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]acetamide
CID 125175442
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 42920128
2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 103514779
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
CID 35126659
N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
CID 17012003

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-2-ylmethyl)amino]-N-(2-phenyl-2-piperidin-1-ylethyl)acetamide?
The IUPAC name of 2-[methyl(pyridin-2-ylmethyl)amino]-N-(2-phenyl-2-piperidin-1-ylethyl)acetamide (CID 118779332) is 2-[methyl(pyridin-2-ylmethyl)amino]-N-(2-phenyl-2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[methyl(pyridin-2-ylmethyl)amino]-N-(2-phenyl-2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[methyl(pyridin-2-ylmethyl)amino]-N-(2-phenyl-2-piperidin-1-ylethyl)acetamide is CN(CC(=O)NCC(c1ccccc1)N1CCCCC1)Cc1ccccn1.
What is the InChIKey of 2-[methyl(pyridin-2-ylmethyl)amino]-N-(2-phenyl-2-piperidin-1-ylethyl)acetamide?
The InChIKey is RXKKWKMTVRPJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-25(17-20-12-6-7-13-23-20)18-22(27)24-16-21(19-10-4-2-5-11-19)26-14-8-3-9-15-26/h2,4-7,10-13,21H,3,8-9,14-18H2,1H3,(H,24,27).
What are the key properties of 2-[methyl(pyridin-2-ylmethyl)amino]-N-(2-phenyl-2-piperidin-1-ylethyl)acetamide?
2-[methyl(pyridin-2-ylmethyl)amino]-N-(2-phenyl-2-piperidin-1-ylethyl)acetamide has a molecular weight of 366.51 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-2-ylmethyl)amino]-N-(2-phenyl-2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 118779332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).