methyl 4-[2-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]benzoate

C23H28N2O3 — CID 174317791

IUPACmethyl 4-[2-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N2CCCCC2N(C)CCc2ccccc2)cc1
InChIInChI=1S/C23H28N2O3/c1-24(17-15-18-8-4-3-5-9-18)21-10-6-7-16-25(21)22(26)19-11-13-20(14-12-19)23(27)28-2/h3-5,8-9,11-14,21H,6-7,10,15-17H2,1-2H3
InChIKeyANXUEKHXRRQZFX-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.60
Rot. Bonds6

About methyl 4-[2-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]benzoate

methyl 4-[2-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]benzoate (PubChem CID 174317791) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is methyl 4-[2-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]benzoate
PubChem CID174317791
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Namemethyl 4-[2-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N2CCCCC2N(C)CCc2ccccc2)cc1
InChIInChI=1S/C23H28N2O3/c1-24(17-15-18-8-4-3-5-9-18)21-10-6-7-16-25(21)22(26)19-11-13-20(14-12-19)23(27)28-2/h3-5,8-9,11-14,21H,6-7,10,15-17H2,1-2H3
InChIKeyANXUEKHXRRQZFX-UHFFFAOYSA-N
XLogP3.60
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylate
CID 87046966
N-benzyl-4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzamide
CID 109047100
4-(2-ethylpiperidine-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047836
methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate
CID 115535703
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
methyl 4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzoate
CID 47039832
methyl 4-[2-[cyclopentylmethyl(ethyl)amino]ethyl]benzoate
CID 167283875
methyl 1-[4-(methoxymethyl)benzoyl]piperidine-2-carboxylate
CID 115280090
[4-(4-hydroxyphenyl)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 23284910
methyl 4-(3-phenylpropanoyl)benzoate
CID 11184731
methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate
CID 833629
methyl 4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzoate
CID 5009939

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]benzoate?
The IUPAC name of methyl 4-[2-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]benzoate (CID 174317791) is methyl 4-[2-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]benzoate.
What is the SMILES notation for methyl 4-[2-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]benzoate?
The canonical SMILES for methyl 4-[2-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]benzoate is COC(=O)c1ccc(C(=O)N2CCCCC2N(C)CCc2ccccc2)cc1.
What is the InChIKey of methyl 4-[2-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]benzoate?
The InChIKey is ANXUEKHXRRQZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-24(17-15-18-8-4-3-5-9-18)21-10-6-7-16-25(21)22(26)19-11-13-20(14-12-19)23(27)28-2/h3-5,8-9,11-14,21H,6-7,10,15-17H2,1-2H3.
What are the key properties of methyl 4-[2-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]benzoate?
methyl 4-[2-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]benzoate has a molecular weight of 380.49 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]benzoate is sourced from PubChem (CID 174317791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).