(1-ethylpiperidin-4-yl)-[(3R)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]methanone

C22H34N2O2 — CID 25298064

IUPAC(1-ethylpiperidin-4-yl)-[(3R)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]methanone
SMILESCCN1CCC(C(=O)N2CCC[C@@H](CCc3cccc(OC)c3)C2)CC1
InChIInChI=1S/C22H34N2O2/c1-3-23-14-11-20(12-15-23)22(25)24-13-5-7-19(17-24)10-9-18-6-4-8-21(16-18)26-2/h4,6,8,16,19-20H,3,5,7,9-15,17H2,1-2H3/t19-/m0/s1
InChIKeyANFZOUHFVAJIKR-IBGZPJMESA-N
MW358.53 g/mol
LogP3.60
Rot. Bonds6

About (1-ethylpiperidin-4-yl)-[(3R)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]methanone

(1-ethylpiperidin-4-yl)-[(3R)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]methanone (PubChem CID 25298064) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is (1-ethylpiperidin-4-yl)-[(3R)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpiperidin-4-yl)-[(3R)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]methanone
PubChem CID25298064
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name(1-ethylpiperidin-4-yl)-[(3R)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]methanone
SMILESCCN1CCC(C(=O)N2CCC[C@@H](CCc3cccc(OC)c3)C2)CC1
InChIInChI=1S/C22H34N2O2/c1-3-23-14-11-20(12-15-23)22(25)24-13-5-7-19(17-24)10-9-18-6-4-8-21(16-18)26-2/h4,6,8,16,19-20H,3,5,7,9-15,17H2,1-2H3/t19-/m0/s1
InChIKeyANFZOUHFVAJIKR-IBGZPJMESA-N
XLogP3.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-ethylpiperidin-4-yl)-[(3R)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(1-ethylpiperidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 42150617
(4-ethylpiperazin-1-yl)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 795804
methyl 4-[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-4-oxobutanoate
CID 42558151
1-[(3R)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]pent-4-en-1-one
CID 42455323
1-[3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]pent-4-en-1-one
CID 45243638
N-[2-[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 95524841
N-[2-[3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 56866134
1-[4-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 26401825
1-[3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 45219675
(3-hydroxy-4-methoxyphenyl)-[3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 56872600
(3-hydroxy-4-methoxyphenyl)-[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 95552525
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 134058368

Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-4-yl)-[(3R)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (1-ethylpiperidin-4-yl)-[(3R)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]methanone (CID 25298064) is (1-ethylpiperidin-4-yl)-[(3R)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpiperidin-4-yl)-[(3R)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-ethylpiperidin-4-yl)-[(3R)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]methanone is CCN1CCC(C(=O)N2CCC[C@@H](CCc3cccc(OC)c3)C2)CC1.
What is the InChIKey of (1-ethylpiperidin-4-yl)-[(3R)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]methanone?
The InChIKey is ANFZOUHFVAJIKR-IBGZPJMESA-N. The full InChI is InChI=1S/C22H34N2O2/c1-3-23-14-11-20(12-15-23)22(25)24-13-5-7-19(17-24)10-9-18-6-4-8-21(16-18)26-2/h4,6,8,16,19-20H,3,5,7,9-15,17H2,1-2H3/t19-/m0/s1.
What are the key properties of (1-ethylpiperidin-4-yl)-[(3R)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]methanone?
(1-ethylpiperidin-4-yl)-[(3R)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]methanone has a molecular weight of 358.53 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-4-yl)-[(3R)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 25298064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).