(2S,4S)-N,2-dimethyl-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride

C16H25ClN2O2 — CID 120617248

IUPAC(2S,4S)-N,2-dimethyl-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)N(C)CCOc2ccccc2)CCN1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-13-12-14(8-9-17-13)16(19)18(2)10-11-20-15-6-4-3-5-7-15;/h3-7,13-14,17H,8-12H2,1-2H3;1H/t13-,14-;/m0./s1
InChIKeyJOKOPZVGMJUMJU-IODNYQNNSA-N
MW312.84 g/mol
LogP2.33
Rot. Bonds5

About (2S,4S)-N,2-dimethyl-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride

(2S,4S)-N,2-dimethyl-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120617248) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is (2S,4S)-N,2-dimethyl-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N,2-dimethyl-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120617248
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name(2S,4S)-N,2-dimethyl-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)N(C)CCOc2ccccc2)CCN1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-13-12-14(8-9-17-13)16(19)18(2)10-11-20-15-6-4-3-5-7-15;/h3-7,13-14,17H,8-12H2,1-2H3;1H/t13-,14-;/m0./s1
InChIKeyJOKOPZVGMJUMJU-IODNYQNNSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 106739374
(2S,4S)-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120618207
(2S,4S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 120618998
N,2-dimethyl-N-(4-phenylbutyl)piperidine-4-carboxamide
CID 106739419
(2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
CID 61164431
(2S,4S)-2-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 120617690
(2R,3S)-N,2-dimethyl-N-(2-phenoxyethyl)morpholine-3-carboxamide;hydrochloride
CID 120918304
(2S,4S)-N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-methylpiperidine-4-carboxamide
CID 120636375
trans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 97123271
(2S,4S)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 120636609
3-amino-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119731934
cis-(1S,3R)-3-hydroxy-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide
CID 91777791

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N,2-dimethyl-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N,2-dimethyl-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride (CID 120617248) is (2S,4S)-N,2-dimethyl-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N,2-dimethyl-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N,2-dimethyl-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)N(C)CCOc2ccccc2)CCN1.Cl.
What is the InChIKey of (2S,4S)-N,2-dimethyl-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is JOKOPZVGMJUMJU-IODNYQNNSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-13-12-14(8-9-17-13)16(19)18(2)10-11-20-15-6-4-3-5-7-15;/h3-7,13-14,17H,8-12H2,1-2H3;1H/t13-,14-;/m0./s1.
What are the key properties of (2S,4S)-N,2-dimethyl-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride?
(2S,4S)-N,2-dimethyl-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N,2-dimethyl-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120617248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).