ethane;1-[4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidin-1-yl]ethanone

C22H40N2O — CID 90770756

IUPACethane;1-[4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidin-1-yl]ethanone
SMILESCC.CC.CC(=O)N1CCC(CN(C)C(C)Cc2ccccc2)CC1
InChIInChI=1S/C18H28N2O.2C2H6/c1-15(13-17-7-5-4-6-8-17)19(3)14-18-9-11-20(12-10-18)16(2)21;2*1-2/h4-8,15,18H,9-14H2,1-3H3;2*1-2H3
InChIKeyGYDDZBWXZGWQHP-UHFFFAOYSA-N
MW348.58 g/mol
LogP4.86
Rot. Bonds5

About ethane;1-[4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidin-1-yl]ethanone

ethane;1-[4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidin-1-yl]ethanone (PubChem CID 90770756) has the molecular formula C22H40N2O and a molecular weight of 348.58 g/mol. Its IUPAC name is ethane;1-[4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidin-1-yl]ethanone
PubChem CID90770756
Molecular FormulaC22H40N2O
Molecular Weight348.58 g/mol
Exact Mass348.31
IUPAC Nameethane;1-[4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidin-1-yl]ethanone
SMILESCC.CC.CC(=O)N1CCC(CN(C)C(C)Cc2ccccc2)CC1
InChIInChI=1S/C18H28N2O.2C2H6/c1-15(13-17-7-5-4-6-8-17)19(3)14-18-9-11-20(12-10-18)16(2)21;2*1-2/h4-8,15,18H,9-14H2,1-3H3;2*1-2H3
InChIKeyGYDDZBWXZGWQHP-UHFFFAOYSA-N
XLogP4.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.58
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;1-[4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidin-1-yl]ethanone 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

chloro 4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidine-1-sulfinate
CID 20706309
ethane;N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-phenylpropan-2-amine;N-methyl-1-sulfonylmethanamine
CID 90743566
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-phenyl-2-sulfanylpropan-1-one
CID 107026032
ethane;methane;N-methyl-1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenylpropan-2-one;(1-phosphanylpiperidin-4-yl)methanamine
CID 158973227
1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone
CID 94923523
1-[4-[[4-(1-phenylpropan-2-ylamino)phenyl]methyl]piperidin-1-yl]ethanone
CID 19390855
2-amino-1-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119896673
N-methyl-1-phenyl-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106623701
(2S)-2-amino-1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]propan-1-one;dihydrochloride
CID 119875257
1-(4-benzylpiperidin-1-yl)-2-bromobutan-1-one
CID 25219771
(2S)-2-amino-1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]butan-1-one
CID 119875253
1-phenylbutan-2-yl 1-acetylpiperidine-4-carboxylate
CID 71869357

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidin-1-yl]ethanone?
The IUPAC name of ethane;1-[4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidin-1-yl]ethanone (CID 90770756) is ethane;1-[4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for ethane;1-[4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for ethane;1-[4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidin-1-yl]ethanone is CC.CC.CC(=O)N1CCC(CN(C)C(C)Cc2ccccc2)CC1.
What is the InChIKey of ethane;1-[4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidin-1-yl]ethanone?
The InChIKey is GYDDZBWXZGWQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.2C2H6/c1-15(13-17-7-5-4-6-8-17)19(3)14-18-9-11-20(12-10-18)16(2)21;2*1-2/h4-8,15,18H,9-14H2,1-3H3;2*1-2H3.
What are the key properties of ethane;1-[4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidin-1-yl]ethanone?
ethane;1-[4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidin-1-yl]ethanone has a molecular weight of 348.58 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 90770756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).