N-[4-[(2S)-piperidin-2-yl]phenyl]acetamide;hydrochloride

C13H19ClN2O — CID 154574804

IUPACN-[4-[(2S)-piperidin-2-yl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc([C@@H]2CCCCN2)cc1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-10(16)15-12-7-5-11(6-8-12)13-4-2-3-9-14-13;/h5-8,13-14H,2-4,9H2,1H3,(H,15,16);1H/t13-;/m0./s1
InChIKeyHCGSECWPURFYIJ-ZOWNYOTGSA-N
MW254.76 g/mol
LogP2.88
Rot. Bonds2

About N-[4-[(2S)-piperidin-2-yl]phenyl]acetamide;hydrochloride

N-[4-[(2S)-piperidin-2-yl]phenyl]acetamide;hydrochloride (PubChem CID 154574804) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-[4-[(2S)-piperidin-2-yl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(2S)-piperidin-2-yl]phenyl]acetamide;hydrochloride
PubChem CID154574804
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-[4-[(2S)-piperidin-2-yl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc([C@@H]2CCCCN2)cc1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-10(16)15-12-7-5-11(6-8-12)13-4-2-3-9-14-13;/h5-8,13-14H,2-4,9H2,1H3,(H,15,16);1H/t13-;/m0./s1
InChIKeyHCGSECWPURFYIJ-ZOWNYOTGSA-N
XLogP2.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(2S)-pyrrolidin-2-yl]phenyl]acetamide
CID 66518494
tert-butyl N-[4-[(2S)-pyrrolidin-2-yl]phenyl]carbamate
CID 130779938
N-cyclopentyl-4-piperidin-2-ylaniline
CID 145056454
4-piperidin-2-ylphenol
CID 19711202
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2R)-2-(4-methylsulfonylphenyl)piperidine;hydrochloride
CID 171195302
(2R)-2-(4-chlorophenyl)piperidine;hydrochloride
CID 155903197
N-(2-piperidin-2-ylphenyl)acetamide
CID 83404303
(2S)-2-(4-propan-2-ylphenyl)piperidine;hydrochloride
CID 171194841
[(4-acetamidophenyl)-piperidin-2-ylmethyl] acetate;hydrochloride
CID 160711504
methyl 2-(4-pyrrolidin-2-ylphenyl)acetate
CID 70987357
methyl 2-[4-[(2R)-pyrrolidin-2-yl]phenyl]acetate
CID 66518883

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-piperidin-2-yl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[(2S)-piperidin-2-yl]phenyl]acetamide;hydrochloride (CID 154574804) is N-[4-[(2S)-piperidin-2-yl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[(2S)-piperidin-2-yl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[(2S)-piperidin-2-yl]phenyl]acetamide;hydrochloride is CC(=O)Nc1ccc([C@@H]2CCCCN2)cc1.Cl.
What is the InChIKey of N-[4-[(2S)-piperidin-2-yl]phenyl]acetamide;hydrochloride?
The InChIKey is HCGSECWPURFYIJ-ZOWNYOTGSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c1-10(16)15-12-7-5-11(6-8-12)13-4-2-3-9-14-13;/h5-8,13-14H,2-4,9H2,1H3,(H,15,16);1H/t13-;/m0./s1.
What are the key properties of N-[4-[(2S)-piperidin-2-yl]phenyl]acetamide;hydrochloride?
N-[4-[(2S)-piperidin-2-yl]phenyl]acetamide;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-piperidin-2-yl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 154574804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).