N-[2-(3,4-diethoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide

C19H30N2O4 — CID 119677415

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCCOc1ccc(CCNC(=O)C2(OC)CCNCC2)cc1OCC
InChIInChI=1S/C19H30N2O4/c1-4-24-16-7-6-15(14-17(16)25-5-2)8-11-21-18(22)19(23-3)9-12-20-13-10-19/h6-7,14,20H,4-5,8-13H2,1-3H3,(H,21,22)
InChIKeyGTJQRSHXKXXCMW-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.91
Rot. Bonds9

About N-[2-(3,4-diethoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide

N-[2-(3,4-diethoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119677415) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119677415
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCCOc1ccc(CCNC(=O)C2(OC)CCNCC2)cc1OCC
InChIInChI=1S/C19H30N2O4/c1-4-24-16-7-6-15(14-17(16)25-5-2)8-11-21-18(22)19(23-3)9-12-20-13-10-19/h6-7,14,20H,4-5,8-13H2,1-3H3,(H,21,22)
InChIKeyGTJQRSHXKXXCMW-UHFFFAOYSA-N
XLogP1.91
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-4-methoxypiperidine-4-carboxamide
CID 119786413
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119714589
4-methoxy-N-(2-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119670076
1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea
CID 108909248
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea
CID 108893630
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
N-[2-(2,6-difluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119722583
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 119264764
1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108887610
(2S,4S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616882

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide (CID 119677415) is N-[2-(3,4-diethoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide is CCOc1ccc(CCNC(=O)C2(OC)CCNCC2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is GTJQRSHXKXXCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-4-24-16-7-6-15(14-17(16)25-5-2)8-11-21-18(22)19(23-3)9-12-20-13-10-19/h6-7,14,20H,4-5,8-13H2,1-3H3,(H,21,22).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119677415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).