[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone

C22H27NO3 — CID 25486073

IUPAC[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1OCc1ccccc1
InChIInChI=1S/C22H27NO3/c1-16-11-17(2)14-23(13-16)22(24)19-9-10-20(21(12-19)25-3)26-15-18-7-5-4-6-8-18/h4-10,12,16-17H,11,13-15H2,1-3H3/t16-,17-/m0/s1
InChIKeyJZEVLGIRSCPREN-IRXDYDNUSA-N
MW353.46 g/mol
LogP4.39
Rot. Bonds5

About [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone

[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone (PubChem CID 25486073) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
PubChem CID25486073
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1OCc1ccccc1
InChIInChI=1S/C22H27NO3/c1-16-11-17(2)14-23(13-16)22(24)19-9-10-20(21(12-19)25-3)26-15-18-7-5-4-6-8-18/h4-10,12,16-17H,11,13-15H2,1-3H3/t16-,17-/m0/s1
InChIKeyJZEVLGIRSCPREN-IRXDYDNUSA-N
XLogP4.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone 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

[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 41292535
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 9295714
[4-(3-methoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46413267
(3-methoxy-4-phenylmethoxyphenyl)-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 55975841
(3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 16786462
(3-bromo-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 60660628
imidazolidin-1-yl-(4-methoxy-3-phenylmethoxyphenyl)methanone
CID 145479370
(3,4-dimethoxyphenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505153
azepan-1-yl-(3-methoxy-4-phenylmethoxyphenyl)methanethione
CID 7369964
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 650859
2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 82228571

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone?
The IUPAC name of [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone (CID 25486073) is [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone.
What is the SMILES notation for [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone?
The canonical SMILES for [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone is COc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1OCc1ccccc1.
What is the InChIKey of [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone?
The InChIKey is JZEVLGIRSCPREN-IRXDYDNUSA-N. The full InChI is InChI=1S/C22H27NO3/c1-16-11-17(2)14-23(13-16)22(24)19-9-10-20(21(12-19)25-3)26-15-18-7-5-4-6-8-18/h4-10,12,16-17H,11,13-15H2,1-3H3/t16-,17-/m0/s1.
What are the key properties of [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone?
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone has a molecular weight of 353.46 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 25486073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).