(3S)-1-(3-ethoxy-4-methoxybenzoyl)-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide

C20H30N2O5 — CID 52524664

IUPAC(3S)-1-(3-ethoxy-4-methoxybenzoyl)-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
SMILESCCOc1cc(C(=O)N2CCC[C@H](C(=O)N(C)CCOC)C2)ccc1OC
InChIInChI=1S/C20H30N2O5/c1-5-27-18-13-15(8-9-17(18)26-4)20(24)22-10-6-7-16(14-22)19(23)21(2)11-12-25-3/h8-9,13,16H,5-7,10-12,14H2,1-4H3/t16-/m0/s1
InChIKeyXLCKYUDARBANRE-INIZCTEOSA-N
MW378.47 g/mol
LogP2.05
Rot. Bonds8

About (3S)-1-(3-ethoxy-4-methoxybenzoyl)-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide

(3S)-1-(3-ethoxy-4-methoxybenzoyl)-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide (PubChem CID 52524664) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is (3S)-1-(3-ethoxy-4-methoxybenzoyl)-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-ethoxy-4-methoxybenzoyl)-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
PubChem CID52524664
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC Name(3S)-1-(3-ethoxy-4-methoxybenzoyl)-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
SMILESCCOc1cc(C(=O)N2CCC[C@H](C(=O)N(C)CCOC)C2)ccc1OC
InChIInChI=1S/C20H30N2O5/c1-5-27-18-13-15(8-9-17(18)26-4)20(24)22-10-6-7-16(14-22)19(23)21(2)11-12-25-3/h8-9,13,16H,5-7,10-12,14H2,1-4H3/t16-/m0/s1
InChIKeyXLCKYUDARBANRE-INIZCTEOSA-N
XLogP2.05
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethoxy-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 45429428
ethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate
CID 94014630
(3S)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-3-carboxylic acid
CID 119113504
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 55790309
(3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261492
[1-(3-ethoxy-4-methoxybenzoyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 55662274
(3-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone;hydrochloride
CID 119378962
(3-ethoxy-4-methoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371667
(3S)-3-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide
CID 9090523
(3,4-diethoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488249
N-(2-aminoethyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481384
(3S)-1-(3,5-dimethylbenzoyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082877

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-ethoxy-4-methoxybenzoyl)-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-ethoxy-4-methoxybenzoyl)-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide (CID 52524664) is (3S)-1-(3-ethoxy-4-methoxybenzoyl)-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-ethoxy-4-methoxybenzoyl)-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-ethoxy-4-methoxybenzoyl)-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide is CCOc1cc(C(=O)N2CCC[C@H](C(=O)N(C)CCOC)C2)ccc1OC.
What is the InChIKey of (3S)-1-(3-ethoxy-4-methoxybenzoyl)-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is XLCKYUDARBANRE-INIZCTEOSA-N. The full InChI is InChI=1S/C20H30N2O5/c1-5-27-18-13-15(8-9-17(18)26-4)20(24)22-10-6-7-16(14-22)19(23)21(2)11-12-25-3/h8-9,13,16H,5-7,10-12,14H2,1-4H3/t16-/m0/s1.
What are the key properties of (3S)-1-(3-ethoxy-4-methoxybenzoyl)-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide?
(3S)-1-(3-ethoxy-4-methoxybenzoyl)-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 2.05, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-ethoxy-4-methoxybenzoyl)-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 52524664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).