1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide

C20H31N3O3 — CID 134046460

IUPAC1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(CC(=O)NCCc2ccccc2OC)CC1
InChIInChI=1S/C20H31N3O3/c1-3-11-22-20(25)17-9-13-23(14-10-17)15-19(24)21-12-8-16-6-4-5-7-18(16)26-2/h4-7,17H,3,8-15H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyWOUFBGYHAOSICX-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.59
Rot. Bonds9

About 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide

1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide (PubChem CID 134046460) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide
PubChem CID134046460
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(CC(=O)NCCc2ccccc2OC)CC1
InChIInChI=1S/C20H31N3O3/c1-3-11-22-20(25)17-9-13-23(14-10-17)15-19(24)21-12-8-16-6-4-5-7-18(16)26-2/h4-7,17H,3,8-15H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyWOUFBGYHAOSICX-UHFFFAOYSA-N
XLogP1.59
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 8754699
N-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 39930096
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30672521
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 16909550
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 120774994
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 30137323
N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 113411784
N-[2-(2-methoxyphenyl)ethyl]-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide
CID 71701662
1-(2-methoxyethylsulfonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110335435
N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 134055335
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 8549824
N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide
CID 55909398

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide (CID 134046460) is 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(CC(=O)NCCc2ccccc2OC)CC1.
What is the InChIKey of 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide?
The InChIKey is WOUFBGYHAOSICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-3-11-22-20(25)17-9-13-23(14-10-17)15-19(24)21-12-8-16-6-4-5-7-18(16)26-2/h4-7,17H,3,8-15H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide?
1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 134046460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).