[1-phenyl-2-[3-[(N-propanoylanilino)methyl]piperidin-1-yl]ethyl] propanoate

C26H34N2O3 — CID 20598068

IUPAC[1-phenyl-2-[3-[(N-propanoylanilino)methyl]piperidin-1-yl]ethyl] propanoate
SMILESCCC(=O)OC(CN1CCCC(CN(C(=O)CC)c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C26H34N2O3/c1-3-25(29)28(23-15-9-6-10-16-23)19-21-12-11-17-27(18-21)20-24(31-26(30)4-2)22-13-7-5-8-14-22/h5-10,13-16,21,24H,3-4,11-12,17-20H2,1-2H3
InChIKeyFJZLVSZAFVBEEX-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.84
Rot. Bonds9

About [1-phenyl-2-[3-[(N-propanoylanilino)methyl]piperidin-1-yl]ethyl] propanoate

[1-phenyl-2-[3-[(N-propanoylanilino)methyl]piperidin-1-yl]ethyl] propanoate (PubChem CID 20598068) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is [1-phenyl-2-[3-[(N-propanoylanilino)methyl]piperidin-1-yl]ethyl] propanoate.

Molecular Properties

Compound Name[1-phenyl-2-[3-[(N-propanoylanilino)methyl]piperidin-1-yl]ethyl] propanoate
PubChem CID20598068
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Name[1-phenyl-2-[3-[(N-propanoylanilino)methyl]piperidin-1-yl]ethyl] propanoate
SMILESCCC(=O)OC(CN1CCCC(CN(C(=O)CC)c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C26H34N2O3/c1-3-25(29)28(23-15-9-6-10-16-23)19-21-12-11-17-27(18-21)20-24(31-26(30)4-2)22-13-7-5-8-14-22/h5-10,13-16,21,24H,3-4,11-12,17-20H2,1-2H3
InChIKeyFJZLVSZAFVBEEX-UHFFFAOYSA-N
XLogP4.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-phenyl-2-[3-[(N-propanoylanilino)methyl]piperidin-1-yl]ethyl] propanoate with MolForge

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Related Compounds

N-phenyl-N-[[(3R)-1-(2-phenylpropyl)piperidin-3-yl]methyl]propanamide
CID 59101556
[(1R)-2-[(3S,4S)-3-methyl-4-(N-propanoylanilino)piperidin-1-yl]-1-phenylethyl] propanoate
CID 10002370
N-phenyl-N-[[1-[(2Z)-2-sulfanylpenta-2,4-dienyl]azepan-3-yl]methyl]propanamide
CID 142099231
N-phenyl-N-[[1-[(2-phenylethylamino)methyl]azepan-3-yl]methyl]propanamide
CID 57086462
benzyl 3-[(N-propanoylanilino)methyl]azepane-1-carboxylate
CID 20598087
3-[(3S)-1-[(2R)-2-methoxy-2-phenylethyl]piperidin-3-yl]propanamide
CID 124843943
N-[(1R)-1-phenylethyl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide
CID 10271032
N-(1-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide
CID 161150903
methyl 3-(anilinomethyl)piperidine-1-carboxylate;methyl 3-[(N-propanoylanilino)methyl]piperidine-1-carboxylate;propanoyl chloride
CID 161345821
N-but-1-en-2-yl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]aniline
CID 142167405
N-[(1R)-1-[(3R)-1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-3-yl]ethyl]-N-phenylpropanamide
CID 10199807
[3-(4-benzhydrylpiperazin-1-yl)-1-phenylpropyl] propanoate
CID 3073540

Frequently Asked Questions

What is the IUPAC name of [1-phenyl-2-[3-[(N-propanoylanilino)methyl]piperidin-1-yl]ethyl] propanoate?
The IUPAC name of [1-phenyl-2-[3-[(N-propanoylanilino)methyl]piperidin-1-yl]ethyl] propanoate (CID 20598068) is [1-phenyl-2-[3-[(N-propanoylanilino)methyl]piperidin-1-yl]ethyl] propanoate.
What is the SMILES notation for [1-phenyl-2-[3-[(N-propanoylanilino)methyl]piperidin-1-yl]ethyl] propanoate?
The canonical SMILES for [1-phenyl-2-[3-[(N-propanoylanilino)methyl]piperidin-1-yl]ethyl] propanoate is CCC(=O)OC(CN1CCCC(CN(C(=O)CC)c2ccccc2)C1)c1ccccc1.
What is the InChIKey of [1-phenyl-2-[3-[(N-propanoylanilino)methyl]piperidin-1-yl]ethyl] propanoate?
The InChIKey is FJZLVSZAFVBEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-3-25(29)28(23-15-9-6-10-16-23)19-21-12-11-17-27(18-21)20-24(31-26(30)4-2)22-13-7-5-8-14-22/h5-10,13-16,21,24H,3-4,11-12,17-20H2,1-2H3.
What are the key properties of [1-phenyl-2-[3-[(N-propanoylanilino)methyl]piperidin-1-yl]ethyl] propanoate?
[1-phenyl-2-[3-[(N-propanoylanilino)methyl]piperidin-1-yl]ethyl] propanoate has a molecular weight of 422.57 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-phenyl-2-[3-[(N-propanoylanilino)methyl]piperidin-1-yl]ethyl] propanoate is sourced from PubChem (CID 20598068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).