methyl 1-[2-(N-methylanilino)ethyl]-4-(N-propanoylanilino)piperidine-3-carboxylate

C25H33N3O3 — CID 3074357

IUPACmethyl 1-[2-(N-methylanilino)ethyl]-4-(N-propanoylanilino)piperidine-3-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCN(C)c2ccccc2)CC1C(=O)OC
InChIInChI=1S/C25H33N3O3/c1-4-24(29)28(21-13-9-6-10-14-21)23-15-16-27(19-22(23)25(30)31-3)18-17-26(2)20-11-7-5-8-12-20/h5-14,22-23H,4,15-19H2,1-3H3
InChIKeyHCDUIWSUWHCDFN-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.43
Rot. Bonds8

About methyl 1-[2-(N-methylanilino)ethyl]-4-(N-propanoylanilino)piperidine-3-carboxylate

methyl 1-[2-(N-methylanilino)ethyl]-4-(N-propanoylanilino)piperidine-3-carboxylate (PubChem CID 3074357) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is methyl 1-[2-(N-methylanilino)ethyl]-4-(N-propanoylanilino)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(N-methylanilino)ethyl]-4-(N-propanoylanilino)piperidine-3-carboxylate
PubChem CID3074357
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Namemethyl 1-[2-(N-methylanilino)ethyl]-4-(N-propanoylanilino)piperidine-3-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCN(C)c2ccccc2)CC1C(=O)OC
InChIInChI=1S/C25H33N3O3/c1-4-24(29)28(21-13-9-6-10-14-21)23-15-16-27(19-22(23)25(30)31-3)18-17-26(2)20-11-7-5-8-12-20/h5-14,22-23H,4,15-19H2,1-3H3
InChIKeyHCDUIWSUWHCDFN-UHFFFAOYSA-N
XLogP3.43
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-acetyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-[1-(2-phenylethyl)-3-propanoylpiperidin-4-yl]propanamide
CID 157116198
3-[3-methyl-4-(N-propanoylanilino)piperidin-1-yl]propanoic acid
CID 57141951
N-[(3R,4S)-3-butyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 53344605
N-phenyl-N-[(3R,4R)-1-(2-phenylethyl)-3-prop-2-enylpiperidin-4-yl]propanamide
CID 121490834
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
N-[1-[2-(2,6-dimethoxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 165361588
(E)-but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 6445104
N-(1-butylpiperidin-4-yl)-N-phenylpropanamide
CID 91753688
2-methoxy-N-[(3S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 18602333
[(1R)-2-[(3S,4S)-3-methyl-4-(N-propanoylanilino)piperidin-1-yl]-1-phenylethyl] propanoate
CID 10002370
N-[(3R,4S)-3-methoxy-1-(1-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 86744623

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(N-methylanilino)ethyl]-4-(N-propanoylanilino)piperidine-3-carboxylate?
The IUPAC name of methyl 1-[2-(N-methylanilino)ethyl]-4-(N-propanoylanilino)piperidine-3-carboxylate (CID 3074357) is methyl 1-[2-(N-methylanilino)ethyl]-4-(N-propanoylanilino)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(N-methylanilino)ethyl]-4-(N-propanoylanilino)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(N-methylanilino)ethyl]-4-(N-propanoylanilino)piperidine-3-carboxylate is CCC(=O)N(c1ccccc1)C1CCN(CCN(C)c2ccccc2)CC1C(=O)OC.
What is the InChIKey of methyl 1-[2-(N-methylanilino)ethyl]-4-(N-propanoylanilino)piperidine-3-carboxylate?
The InChIKey is HCDUIWSUWHCDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-4-24(29)28(21-13-9-6-10-14-21)23-15-16-27(19-22(23)25(30)31-3)18-17-26(2)20-11-7-5-8-12-20/h5-14,22-23H,4,15-19H2,1-3H3.
What are the key properties of methyl 1-[2-(N-methylanilino)ethyl]-4-(N-propanoylanilino)piperidine-3-carboxylate?
methyl 1-[2-(N-methylanilino)ethyl]-4-(N-propanoylanilino)piperidine-3-carboxylate has a molecular weight of 423.56 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(N-methylanilino)ethyl]-4-(N-propanoylanilino)piperidine-3-carboxylate is sourced from PubChem (CID 3074357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).