methane;1-[(2R,3R)-3-(methylamino)-1-(3-phenylpropyl)piperidin-2-yl]ethanone

C19H34N2O — CID 158169993

IUPACmethane;1-[(2R,3R)-3-(methylamino)-1-(3-phenylpropyl)piperidin-2-yl]ethanone
SMILESC.C.CN[C@@H]1CCCN(CCCc2ccccc2)[C@H]1C(C)=O
InChIInChI=1S/C17H26N2O.2CH4/c1-14(20)17-16(18-2)11-7-13-19(17)12-6-10-15-8-4-3-5-9-15;;/h3-5,8-9,16-18H,6-7,10-13H2,1-2H3;2*1H4/t16-,17+;;/m1../s1
InChIKeyFXIJCJSWWINNGI-LWPKXAGOSA-N
MW306.49 g/mol
LogP3.53
Rot. Bonds6

About methane;1-[(2R,3R)-3-(methylamino)-1-(3-phenylpropyl)piperidin-2-yl]ethanone

methane;1-[(2R,3R)-3-(methylamino)-1-(3-phenylpropyl)piperidin-2-yl]ethanone (PubChem CID 158169993) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is methane;1-[(2R,3R)-3-(methylamino)-1-(3-phenylpropyl)piperidin-2-yl]ethanone.

Molecular Properties

Compound Namemethane;1-[(2R,3R)-3-(methylamino)-1-(3-phenylpropyl)piperidin-2-yl]ethanone
PubChem CID158169993
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Namemethane;1-[(2R,3R)-3-(methylamino)-1-(3-phenylpropyl)piperidin-2-yl]ethanone
SMILESC.C.CN[C@@H]1CCCN(CCCc2ccccc2)[C@H]1C(C)=O
InChIInChI=1S/C17H26N2O.2CH4/c1-14(20)17-16(18-2)11-7-13-19(17)12-6-10-15-8-4-3-5-9-15;;/h3-5,8-9,16-18H,6-7,10-13H2,1-2H3;2*1H4/t16-,17+;;/m1../s1
InChIKeyFXIJCJSWWINNGI-LWPKXAGOSA-N
XLogP3.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methane;1-[(2R,3R)-3-(methylamino)-1-(3-phenylpropyl)piperidin-2-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

3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid
CID 82183365
methyl 1-(4-phenylbutyl)piperidine-2-carboxylate
CID 114334490
methyl 2-[1-(3-phenylpropyl)piperidin-2-yl]acetate
CID 61034555
1-benzyl-2-ethyl-N-methylpiperidin-3-amine
CID 83850528
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546481
N-[[6-[(2S)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 124970355
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide
CID 11385742
N-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]acetamide
CID 142597068
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 81483955

Frequently Asked Questions

What is the IUPAC name of methane;1-[(2R,3R)-3-(methylamino)-1-(3-phenylpropyl)piperidin-2-yl]ethanone?
The IUPAC name of methane;1-[(2R,3R)-3-(methylamino)-1-(3-phenylpropyl)piperidin-2-yl]ethanone (CID 158169993) is methane;1-[(2R,3R)-3-(methylamino)-1-(3-phenylpropyl)piperidin-2-yl]ethanone.
What is the SMILES notation for methane;1-[(2R,3R)-3-(methylamino)-1-(3-phenylpropyl)piperidin-2-yl]ethanone?
The canonical SMILES for methane;1-[(2R,3R)-3-(methylamino)-1-(3-phenylpropyl)piperidin-2-yl]ethanone is C.C.CN[C@@H]1CCCN(CCCc2ccccc2)[C@H]1C(C)=O.
What is the InChIKey of methane;1-[(2R,3R)-3-(methylamino)-1-(3-phenylpropyl)piperidin-2-yl]ethanone?
The InChIKey is FXIJCJSWWINNGI-LWPKXAGOSA-N. The full InChI is InChI=1S/C17H26N2O.2CH4/c1-14(20)17-16(18-2)11-7-13-19(17)12-6-10-15-8-4-3-5-9-15;;/h3-5,8-9,16-18H,6-7,10-13H2,1-2H3;2*1H4/t16-,17+;;/m1../s1.
What are the key properties of methane;1-[(2R,3R)-3-(methylamino)-1-(3-phenylpropyl)piperidin-2-yl]ethanone?
methane;1-[(2R,3R)-3-(methylamino)-1-(3-phenylpropyl)piperidin-2-yl]ethanone has a molecular weight of 306.49 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-[(2R,3R)-3-(methylamino)-1-(3-phenylpropyl)piperidin-2-yl]ethanone is sourced from PubChem (CID 158169993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).