(2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone

C16H23NO3 — CID 789243

IUPAC(2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(OC)c1
InChIInChI=1S/C16H23NO3/c1-11-7-12(2)10-17(9-11)16(18)14-6-5-13(19-3)8-15(14)20-4/h5-6,8,11-12H,7,9-10H2,1-4H3/t11-,12-/m0/s1
InChIKeyUSEJLXDPGUEWGI-RYUDHWBXSA-N
MW277.36 g/mol
LogP2.82
Rot. Bonds3

About (2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone

(2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone (PubChem CID 789243) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
PubChem CID789243
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(OC)c1
InChIInChI=1S/C16H23NO3/c1-11-7-12(2)10-17(9-11)16(18)14-6-5-13(19-3)8-15(14)20-4/h5-6,8,11-12H,7,9-10H2,1-4H3/t11-,12-/m0/s1
InChIKeyUSEJLXDPGUEWGI-RYUDHWBXSA-N
XLogP2.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone
CID 42940425
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119203
(4-bromopiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 80661673
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 62063554
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 114960668
(5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 2904490
(2,4-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403188
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 115969440
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methoxybenzamide
CID 17433247
(2,4-dimethoxyphenyl)-[(3R,4R)-3-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 70787969
4-(3,5-dimethylpiperidine-1-carbonyl)-7-methoxychromen-2-one
CID 75796712

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone (CID 789243) is (2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone is COc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The InChIKey is USEJLXDPGUEWGI-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-7-12(2)10-17(9-11)16(18)14-6-5-13(19-3)8-15(14)20-4/h5-6,8,11-12H,7,9-10H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of (2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone?
(2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone has a molecular weight of 277.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 789243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).