1-[2,4,6-trimethyl-3-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone

C22H32N2O2 — CID 35316912

IUPAC1-[2,4,6-trimethyl-3-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone
SMILESCC(=O)c1c(C)cc(C)c(CN2CCC(C(=O)N3CCCC3)CC2)c1C
InChIInChI=1S/C22H32N2O2/c1-15-13-16(2)21(18(4)25)17(3)20(15)14-23-11-7-19(8-12-23)22(26)24-9-5-6-10-24/h13,19H,5-12,14H2,1-4H3
InChIKeyJLTVFLLALZUPIA-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.65
Rot. Bonds4

About 1-[2,4,6-trimethyl-3-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone

1-[2,4,6-trimethyl-3-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone (PubChem CID 35316912) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-[2,4,6-trimethyl-3-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2,4,6-trimethyl-3-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone
PubChem CID35316912
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name1-[2,4,6-trimethyl-3-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone
SMILESCC(=O)c1c(C)cc(C)c(CN2CCC(C(=O)N3CCCC3)CC2)c1C
InChIInChI=1S/C22H32N2O2/c1-15-13-16(2)21(18(4)25)17(3)20(15)14-23-11-7-19(8-12-23)22(26)24-9-5-6-10-24/h13,19H,5-12,14H2,1-4H3
InChIKeyJLTVFLLALZUPIA-UHFFFAOYSA-N
XLogP3.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(4-acetyl-1,4-diazepan-1-yl)methyl]-2,4,6-trimethylphenyl]ethanone
CID 30760359
1-[2,4,6-trimethyl-3-[[3-(methylamino)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride
CID 119920332
1-[3-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]-2,4,6-trimethylphenyl]ethanone
CID 75436645
[1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883903
1-[(4-chloro-2,6-dimethylphenyl)methyl]piperidine-4-carboxylic acid
CID 122035800
2-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50968893
3,5-dimethyl-4-(pyrrolidin-1-ylmethyl)phenol
CID 68619963
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25249332
1,5-dimethyl-4-[[4-(piperidine-1-carbonyl)piperidin-1-yl]methyl]pyrrole-2-carbonitrile
CID 70754867
[1-[(2-hydroxynaphthalen-1-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 35870224
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-2-(2,4,6-trimethylphenyl)ethanone
CID 110809409
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(2,4,5-trimethylphenyl)ethanone
CID 110806605

Frequently Asked Questions

What is the IUPAC name of 1-[2,4,6-trimethyl-3-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone?
The IUPAC name of 1-[2,4,6-trimethyl-3-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone (CID 35316912) is 1-[2,4,6-trimethyl-3-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[2,4,6-trimethyl-3-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone?
The canonical SMILES for 1-[2,4,6-trimethyl-3-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone is CC(=O)c1c(C)cc(C)c(CN2CCC(C(=O)N3CCCC3)CC2)c1C.
What is the InChIKey of 1-[2,4,6-trimethyl-3-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone?
The InChIKey is JLTVFLLALZUPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-15-13-16(2)21(18(4)25)17(3)20(15)14-23-11-7-19(8-12-23)22(26)24-9-5-6-10-24/h13,19H,5-12,14H2,1-4H3.
What are the key properties of 1-[2,4,6-trimethyl-3-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone?
1-[2,4,6-trimethyl-3-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone has a molecular weight of 356.51 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4,6-trimethyl-3-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone is sourced from PubChem (CID 35316912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).