(2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride

C15H23ClN2O2 — CID 119714472

IUPAC(2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
SMILESCCOc1cccc(CNC(=O)[C@@H]2CCCCN2)c1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-2-19-13-7-5-6-12(10-13)11-17-15(18)14-8-3-4-9-16-14;/h5-7,10,14,16H,2-4,8-9,11H2,1H3,(H,17,18);1H/t14-;/m0./s1
InChIKeyRGSYBPCAZKFGNU-UQKRIMTDSA-N
MW298.81 g/mol
LogP2.27
Rot. Bonds5

About (2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride

(2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119714472) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is (2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119714472
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name(2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
SMILESCCOc1cccc(CNC(=O)[C@@H]2CCCCN2)c1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-2-19-13-7-5-6-12(10-13)11-17-15(18)14-8-3-4-9-16-14;/h5-7,10,14,16H,2-4,8-9,11H2,1H3,(H,17,18);1H/t14-;/m0./s1
InChIKeyRGSYBPCAZKFGNU-UQKRIMTDSA-N
XLogP2.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119284494
methyl 2-[3-[(piperidine-2-carbonylamino)methyl]phenoxy]acetate
CID 119325625
N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]piperidine-2-carboxamide
CID 119283191
methyl 2-[3-[(pyrrolidine-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride
CID 119325642
(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50944119
N-[(3-ethoxyphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119284495
N-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119847432
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119287429
(2S)-N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119719925
3-[(piperidine-2-carbonylamino)methyl]benzoic acid
CID 61161692
(2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119679731

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride (CID 119714472) is (2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride is CCOc1cccc(CNC(=O)[C@@H]2CCCCN2)c1.Cl.
What is the InChIKey of (2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is RGSYBPCAZKFGNU-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-2-19-13-7-5-6-12(10-13)11-17-15(18)14-8-3-4-9-16-14;/h5-7,10,14,16H,2-4,8-9,11H2,1H3,(H,17,18);1H/t14-;/m0./s1.
What are the key properties of (2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
(2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119714472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).