N-[(2-ethoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide

C17H26N2O2 — CID 63131473

IUPACN-[(2-ethoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide
SMILESCCOc1ccccc1CN(C)C(=O)C1(C)CCCNC1
InChIInChI=1S/C17H26N2O2/c1-4-21-15-9-6-5-8-14(15)12-19(3)16(20)17(2)10-7-11-18-13-17/h5-6,8-9,18H,4,7,10-13H2,1-3H3
InChIKeyCJCPHDIMCBVXMD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.43
Rot. Bonds5

About N-[(2-ethoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide

N-[(2-ethoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide (PubChem CID 63131473) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide
PubChem CID63131473
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[(2-ethoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide
SMILESCCOc1ccccc1CN(C)C(=O)C1(C)CCCNC1
InChIInChI=1S/C17H26N2O2/c1-4-21-15-9-6-5-8-14(15)12-19(3)16(20)17(2)10-7-11-18-13-17/h5-6,8-9,18H,4,7,10-13H2,1-3H3
InChIKeyCJCPHDIMCBVXMD-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(2-ethoxyphenyl)methyl]-3-fluoro-N-methylpyrrolidine-3-carboxamide
CID 124588666
1-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 60963653
1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 81487244
3-ethyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 63131997
N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63140447
N-[(4-ethylphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
CID 119943770
1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115452916
N-[(2-ethoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926302
1-(2-ethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 120898323
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
CID 119944199
[4-(2-ethoxyphenyl)piperazin-1-yl]-[(3R)-3-methylpiperidin-3-yl]methanone
CID 97454697
N,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 63131135

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide (CID 63131473) is N-[(2-ethoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide is CCOc1ccccc1CN(C)C(=O)C1(C)CCCNC1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide?
The InChIKey is CJCPHDIMCBVXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-21-15-9-6-5-8-14(15)12-19(3)16(20)17(2)10-7-11-18-13-17/h5-6,8-9,18H,4,7,10-13H2,1-3H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide?
N-[(2-ethoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 63131473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).