[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone

C20H30N2O3 — CID 95142907

IUPAC[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)cc1
InChIInChI=1S/C20H30N2O3/c1-15-12-21(13-16(2)25-15)14-17-8-10-22(11-9-17)20(23)18-4-6-19(24-3)7-5-18/h4-7,15-17H,8-14H2,1-3H3/t15-,16-/m0/s1
InChIKeyWCCIOMUIITYHKU-HOTGVXAUSA-N
MW346.47 g/mol
LogP2.66
Rot. Bonds4

About [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone

[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 95142907) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID95142907
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)cc1
InChIInChI=1S/C20H30N2O3/c1-15-12-21(13-16(2)25-15)14-17-8-10-22(11-9-17)20(23)18-4-6-19(24-3)7-5-18/h4-7,15-17H,8-14H2,1-3H3/t15-,16-/m0/s1
InChIKeyWCCIOMUIITYHKU-HOTGVXAUSA-N
XLogP2.66
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)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

[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95290672
[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95290673
[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 95305749
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 55845372
[6-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133447932
methyl 5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidine-1-carbonyl]furan-3-carboxylate
CID 97306458
[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 95159159
(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-methylbutan-1-one
CID 98954832
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(4-methoxyphenyl)methanone
CID 102938451
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 2912264
2-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]ethanone
CID 119867511

Frequently Asked Questions

What is the IUPAC name of [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone (CID 95142907) is [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)cc1.
What is the InChIKey of [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is WCCIOMUIITYHKU-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15-12-21(13-16(2)25-15)14-17-8-10-22(11-9-17)20(23)18-4-6-19(24-3)7-5-18/h4-7,15-17H,8-14H2,1-3H3/t15-,16-/m0/s1.
What are the key properties of [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 346.47 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 95142907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).