1-[4-[cyclopropyl-[3-(4-methoxyphenyl)oxetan-3-yl]amino]piperidin-1-yl]ethanone

C20H28N2O3 — CID 156620068

IUPAC1-[4-[cyclopropyl-[3-(4-methoxyphenyl)oxetan-3-yl]amino]piperidin-1-yl]ethanone
SMILESCOc1ccc(C2(N(C3CC3)C3CCN(C(C)=O)CC3)COC2)cc1
InChIInChI=1S/C20H28N2O3/c1-15(23)21-11-9-18(10-12-21)22(17-5-6-17)20(13-25-14-20)16-3-7-19(24-2)8-4-16/h3-4,7-8,17-18H,5-6,9-14H2,1-2H3
InChIKeyCFZGXMLRYZOYFL-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.40
Rot. Bonds5

About 1-[4-[cyclopropyl-[3-(4-methoxyphenyl)oxetan-3-yl]amino]piperidin-1-yl]ethanone

1-[4-[cyclopropyl-[3-(4-methoxyphenyl)oxetan-3-yl]amino]piperidin-1-yl]ethanone (PubChem CID 156620068) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-[4-[cyclopropyl-[3-(4-methoxyphenyl)oxetan-3-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[cyclopropyl-[3-(4-methoxyphenyl)oxetan-3-yl]amino]piperidin-1-yl]ethanone
PubChem CID156620068
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name1-[4-[cyclopropyl-[3-(4-methoxyphenyl)oxetan-3-yl]amino]piperidin-1-yl]ethanone
SMILESCOc1ccc(C2(N(C3CC3)C3CCN(C(C)=O)CC3)COC2)cc1
InChIInChI=1S/C20H28N2O3/c1-15(23)21-11-9-18(10-12-21)22(17-5-6-17)20(13-25-14-20)16-3-7-19(24-2)8-4-16/h3-4,7-8,17-18H,5-6,9-14H2,1-2H3
InChIKeyCFZGXMLRYZOYFL-UHFFFAOYSA-N
XLogP2.40
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[cyclopropyl-[3-(4-methoxyphenyl)oxetan-3-yl]amino]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113158386
1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylurea
CID 20908043
N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 110736220
1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110866811
1-[3-(4-methoxyphenyl)-4-methyl-4-(trimethylsilylmethyl)piperazin-4-ium-1-yl]ethanone
CID 10434473
1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821913
1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(2-methoxyethyl)urea
CID 3236787
3-(4-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-ol;oxalic acid
CID 19802625
1-[5-[[1-(4-methoxyphenyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone
CID 75449124
1-[(10bR)-2-(4-methoxyphenyl)-9-methylspiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-1'-yl]ethanone
CID 2048262
3-(6-methoxynaphthalen-2-yl)oxetane-3-carboxylic acid
CID 116871824
[4-(3-hydroxyoxetan-3-yl)phenyl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 167117214

Frequently Asked Questions

What is the IUPAC name of 1-[4-[cyclopropyl-[3-(4-methoxyphenyl)oxetan-3-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[cyclopropyl-[3-(4-methoxyphenyl)oxetan-3-yl]amino]piperidin-1-yl]ethanone (CID 156620068) is 1-[4-[cyclopropyl-[3-(4-methoxyphenyl)oxetan-3-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[cyclopropyl-[3-(4-methoxyphenyl)oxetan-3-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[cyclopropyl-[3-(4-methoxyphenyl)oxetan-3-yl]amino]piperidin-1-yl]ethanone is COc1ccc(C2(N(C3CC3)C3CCN(C(C)=O)CC3)COC2)cc1.
What is the InChIKey of 1-[4-[cyclopropyl-[3-(4-methoxyphenyl)oxetan-3-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is CFZGXMLRYZOYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-15(23)21-11-9-18(10-12-21)22(17-5-6-17)20(13-25-14-20)16-3-7-19(24-2)8-4-16/h3-4,7-8,17-18H,5-6,9-14H2,1-2H3.
What are the key properties of 1-[4-[cyclopropyl-[3-(4-methoxyphenyl)oxetan-3-yl]amino]piperidin-1-yl]ethanone?
1-[4-[cyclopropyl-[3-(4-methoxyphenyl)oxetan-3-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 344.45 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[cyclopropyl-[3-(4-methoxyphenyl)oxetan-3-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 156620068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).