(2R)-2-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-N-methyl-2-phenylacetamide

C18H27N3O3 — CID 129419077

IUPAC(2R)-2-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@H](NC(=O)CN1CCCC[C@H]1CCO)c1ccccc1
InChIInChI=1S/C18H27N3O3/c1-19-18(24)17(14-7-3-2-4-8-14)20-16(23)13-21-11-6-5-9-15(21)10-12-22/h2-4,7-8,15,17,22H,5-6,9-13H2,1H3,(H,19,24)(H,20,23)/t15-,17+/m0/s1
InChIKeyVCLSSLMAUCMUKP-DOTOQJQBSA-N
MW333.43 g/mol
LogP0.83
Rot. Bonds7

About (2R)-2-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-N-methyl-2-phenylacetamide

(2R)-2-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-N-methyl-2-phenylacetamide (PubChem CID 129419077) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2R)-2-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-N-methyl-2-phenylacetamide
PubChem CID129419077
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(2R)-2-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@H](NC(=O)CN1CCCC[C@H]1CCO)c1ccccc1
InChIInChI=1S/C18H27N3O3/c1-19-18(24)17(14-7-3-2-4-8-14)20-16(23)13-21-11-6-5-9-15(21)10-12-22/h2-4,7-8,15,17,22H,5-6,9-13H2,1H3,(H,19,24)(H,20,23)/t15-,17+/m0/s1
InChIKeyVCLSSLMAUCMUKP-DOTOQJQBSA-N
XLogP0.83
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(methylaminomethyl)piperidin-1-yl]-N-(1-phenylethyl)acetamide
CID 63250347
N-butan-2-yl-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 60690066
N-(2,6-dimethylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 60690462
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenacylacetamide
CID 111913601
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 111490245
N-(3-amino-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 16781307
N-ethyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide
CID 60690329
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110881550
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110881552
(2R)-1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]piperidine-2-carboxamide
CID 41075375
3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylpropanethioamide
CID 64536512
1-(2-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-one
CID 62052719

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-N-methyl-2-phenylacetamide?
The IUPAC name of (2R)-2-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-N-methyl-2-phenylacetamide (CID 129419077) is (2R)-2-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-N-methyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-N-methyl-2-phenylacetamide is CNC(=O)[C@H](NC(=O)CN1CCCC[C@H]1CCO)c1ccccc1.
What is the InChIKey of (2R)-2-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-N-methyl-2-phenylacetamide?
The InChIKey is VCLSSLMAUCMUKP-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-19-18(24)17(14-7-3-2-4-8-14)20-16(23)13-21-11-6-5-9-15(21)10-12-22/h2-4,7-8,15,17,22H,5-6,9-13H2,1H3,(H,19,24)(H,20,23)/t15-,17+/m0/s1.
What are the key properties of (2R)-2-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-N-methyl-2-phenylacetamide?
(2R)-2-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-N-methyl-2-phenylacetamide has a molecular weight of 333.43 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 129419077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).