(3R)-1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide

C20H31N3O4 — CID 9306106

IUPAC(3R)-1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide
SMILESCCOc1ccc(CCNC(=O)CN2CCC[C@@H](C(N)=O)C2)cc1OCC
InChIInChI=1S/C20H31N3O4/c1-3-26-17-8-7-15(12-18(17)27-4-2)9-10-22-19(24)14-23-11-5-6-16(13-23)20(21)25/h7-8,12,16H,3-6,9-11,13-14H2,1-2H3,(H2,21,25)(H,22,24)/t16-/m1/s1
InChIKeyLTMMDPRONMFSIQ-MRXNPFEDSA-N
MW377.49 g/mol
LogP1.34
Rot. Bonds10

About (3R)-1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide

(3R)-1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 9306106) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is (3R)-1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide
PubChem CID9306106
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Name(3R)-1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide
SMILESCCOc1ccc(CCNC(=O)CN2CCC[C@@H](C(N)=O)C2)cc1OCC
InChIInChI=1S/C20H31N3O4/c1-3-26-17-8-7-15(12-18(17)27-4-2)9-10-22-19(24)14-23-11-5-6-16(13-23)20(21)25/h7-8,12,16H,3-6,9-11,13-14H2,1-2H3,(H2,21,25)(H,22,24)/t16-/m1/s1
InChIKeyLTMMDPRONMFSIQ-MRXNPFEDSA-N
XLogP1.34
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305506
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 47006373
2-(4-aminopiperidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride
CID 119908061
3-(3,4-diethoxyphenyl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 99958476
1-[2-(2-hydroxyethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 43509608
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112763526
N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108517275
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7916472
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8531156
1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108887610
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide (CID 9306106) is (3R)-1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide is CCOc1ccc(CCNC(=O)CN2CCC[C@@H](C(N)=O)C2)cc1OCC.
What is the InChIKey of (3R)-1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is LTMMDPRONMFSIQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-3-26-17-8-7-15(12-18(17)27-4-2)9-10-22-19(24)14-23-11-5-6-16(13-23)20(21)25/h7-8,12,16H,3-6,9-11,13-14H2,1-2H3,(H2,21,25)(H,22,24)/t16-/m1/s1.
What are the key properties of (3R)-1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide?
(3R)-1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 1.34, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 9306106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).