[4-[(3,4-dimethoxyphenyl)methyl]piperidin-1-yl]-(3,4-dimethylphenyl)methanone

C23H29NO3 — CID 110289562

IUPAC[4-[(3,4-dimethoxyphenyl)methyl]piperidin-1-yl]-(3,4-dimethylphenyl)methanone
SMILESCOc1ccc(CC2CCN(C(=O)c3ccc(C)c(C)c3)CC2)cc1OC
InChIInChI=1S/C23H29NO3/c1-16-5-7-20(13-17(16)2)23(25)24-11-9-18(10-12-24)14-19-6-8-21(26-3)22(15-19)27-4/h5-8,13,15,18H,9-12,14H2,1-4H3
InChIKeyYXORAAHODJKNSM-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.42
Rot. Bonds5

About [4-[(3,4-dimethoxyphenyl)methyl]piperidin-1-yl]-(3,4-dimethylphenyl)methanone

[4-[(3,4-dimethoxyphenyl)methyl]piperidin-1-yl]-(3,4-dimethylphenyl)methanone (PubChem CID 110289562) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is [4-[(3,4-dimethoxyphenyl)methyl]piperidin-1-yl]-(3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name[4-[(3,4-dimethoxyphenyl)methyl]piperidin-1-yl]-(3,4-dimethylphenyl)methanone
PubChem CID110289562
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name[4-[(3,4-dimethoxyphenyl)methyl]piperidin-1-yl]-(3,4-dimethylphenyl)methanone
SMILESCOc1ccc(CC2CCN(C(=O)c3ccc(C)c(C)c3)CC2)cc1OC
InChIInChI=1S/C23H29NO3/c1-16-5-7-20(13-17(16)2)23(25)24-11-9-18(10-12-24)14-19-6-8-21(26-3)22(15-19)27-4/h5-8,13,15,18H,9-12,14H2,1-4H3
InChIKeyYXORAAHODJKNSM-UHFFFAOYSA-N
XLogP4.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 113074518
[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 15391990
(3-methoxy-4-methylphenyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136519929
[4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 28706771
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2-(3,4-dimethylphenoxy)acetamide
CID 108935291
2-cyclopropyl-1-[4-[(3,4-dimethoxyphenyl)methyl]piperidin-1-yl]propan-1-one
CID 110628517
(4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
CID 82480569
(3,4-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646390
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55065169
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 80550753
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dimethoxyphenyl)methyl]piperidin-1-yl]-(3,4-dimethylphenyl)methanone?
The IUPAC name of [4-[(3,4-dimethoxyphenyl)methyl]piperidin-1-yl]-(3,4-dimethylphenyl)methanone (CID 110289562) is [4-[(3,4-dimethoxyphenyl)methyl]piperidin-1-yl]-(3,4-dimethylphenyl)methanone.
What is the SMILES notation for [4-[(3,4-dimethoxyphenyl)methyl]piperidin-1-yl]-(3,4-dimethylphenyl)methanone?
The canonical SMILES for [4-[(3,4-dimethoxyphenyl)methyl]piperidin-1-yl]-(3,4-dimethylphenyl)methanone is COc1ccc(CC2CCN(C(=O)c3ccc(C)c(C)c3)CC2)cc1OC.
What is the InChIKey of [4-[(3,4-dimethoxyphenyl)methyl]piperidin-1-yl]-(3,4-dimethylphenyl)methanone?
The InChIKey is YXORAAHODJKNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-16-5-7-20(13-17(16)2)23(25)24-11-9-18(10-12-24)14-19-6-8-21(26-3)22(15-19)27-4/h5-8,13,15,18H,9-12,14H2,1-4H3.
What are the key properties of [4-[(3,4-dimethoxyphenyl)methyl]piperidin-1-yl]-(3,4-dimethylphenyl)methanone?
[4-[(3,4-dimethoxyphenyl)methyl]piperidin-1-yl]-(3,4-dimethylphenyl)methanone has a molecular weight of 367.49 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dimethoxyphenyl)methyl]piperidin-1-yl]-(3,4-dimethylphenyl)methanone is sourced from PubChem (CID 110289562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).