2-[(2S)-1-[(2-phenylmethoxyphenyl)methyl]piperidin-2-yl]acetamide

C21H26N2O2 — CID 97157820

IUPAC2-[(2S)-1-[(2-phenylmethoxyphenyl)methyl]piperidin-2-yl]acetamide
SMILESNC(=O)C[C@@H]1CCCCN1Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C21H26N2O2/c22-21(24)14-19-11-6-7-13-23(19)15-18-10-4-5-12-20(18)25-16-17-8-2-1-3-9-17/h1-5,8-10,12,19H,6-7,11,13-16H2,(H2,22,24)/t19-/m0/s1
InChIKeyHUMPNELPZMVVIA-IBGZPJMESA-N
MW338.45 g/mol
LogP3.50
Rot. Bonds7

About 2-[(2S)-1-[(2-phenylmethoxyphenyl)methyl]piperidin-2-yl]acetamide

2-[(2S)-1-[(2-phenylmethoxyphenyl)methyl]piperidin-2-yl]acetamide (PubChem CID 97157820) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[(2S)-1-[(2-phenylmethoxyphenyl)methyl]piperidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-1-[(2-phenylmethoxyphenyl)methyl]piperidin-2-yl]acetamide
PubChem CID97157820
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-[(2S)-1-[(2-phenylmethoxyphenyl)methyl]piperidin-2-yl]acetamide
SMILESNC(=O)C[C@@H]1CCCCN1Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C21H26N2O2/c22-21(24)14-19-11-6-7-13-23(19)15-18-10-4-5-12-20(18)25-16-17-8-2-1-3-9-17/h1-5,8-10,12,19H,6-7,11,13-16H2,(H2,22,24)/t19-/m0/s1
InChIKeyHUMPNELPZMVVIA-IBGZPJMESA-N
XLogP3.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]acetamide
CID 69347873
2-(1-benzylpiperidin-2-yl)ethanethioamide
CID 18940971
(2S,4S)-4-methoxy-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 128979723
2-(2-amino-2-oxoethyl)-N-(3-phenylmethoxyphenyl)piperidine-1-carboxamide
CID 72885918
2-[(2R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]acetamide
CID 52813145
1-(4-cyclohexylpiperazin-1-yl)-2-(2-phenylmethoxyphenyl)ethanone
CID 18456376
[1-[(4-phenylmethoxyphenyl)methyl]piperidin-2-yl]methanol
CID 23961585
[(2S)-1-[[2-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-2-yl]methanamine
CID 99927817
N-[(2-phenylmethoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119736953
[(2R)-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-2-yl]methanamine
CID 99953156
2-[1-[(2-morpholin-4-ylquinolin-3-yl)methyl]piperidin-2-yl]acetamide
CID 77095583
2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone
CID 122375252

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(2-phenylmethoxyphenyl)methyl]piperidin-2-yl]acetamide?
The IUPAC name of 2-[(2S)-1-[(2-phenylmethoxyphenyl)methyl]piperidin-2-yl]acetamide (CID 97157820) is 2-[(2S)-1-[(2-phenylmethoxyphenyl)methyl]piperidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2S)-1-[(2-phenylmethoxyphenyl)methyl]piperidin-2-yl]acetamide?
The canonical SMILES for 2-[(2S)-1-[(2-phenylmethoxyphenyl)methyl]piperidin-2-yl]acetamide is NC(=O)C[C@@H]1CCCCN1Cc1ccccc1OCc1ccccc1.
What is the InChIKey of 2-[(2S)-1-[(2-phenylmethoxyphenyl)methyl]piperidin-2-yl]acetamide?
The InChIKey is HUMPNELPZMVVIA-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2O2/c22-21(24)14-19-11-6-7-13-23(19)15-18-10-4-5-12-20(18)25-16-17-8-2-1-3-9-17/h1-5,8-10,12,19H,6-7,11,13-16H2,(H2,22,24)/t19-/m0/s1.
What are the key properties of 2-[(2S)-1-[(2-phenylmethoxyphenyl)methyl]piperidin-2-yl]acetamide?
2-[(2S)-1-[(2-phenylmethoxyphenyl)methyl]piperidin-2-yl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(2-phenylmethoxyphenyl)methyl]piperidin-2-yl]acetamide is sourced from PubChem (CID 97157820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).