ethyl 1-[3-[butanoyl(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate

C23H34N2O4 — CID 42699660

IUPACethyl 1-[3-[butanoyl(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate
SMILESCCCC(=O)N(CCC(=O)N1CCC(C(=O)OCC)CC1)CCc1ccccc1
InChIInChI=1S/C23H34N2O4/c1-3-8-21(26)24(15-11-19-9-6-5-7-10-19)18-14-22(27)25-16-12-20(13-17-25)23(28)29-4-2/h5-7,9-10,20H,3-4,8,11-18H2,1-2H3
InChIKeyBSPQWENVVKHMRM-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.05
Rot. Bonds10

About ethyl 1-[3-[butanoyl(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate

ethyl 1-[3-[butanoyl(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate (PubChem CID 42699660) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is ethyl 1-[3-[butanoyl(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[butanoyl(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate
PubChem CID42699660
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC Nameethyl 1-[3-[butanoyl(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate
SMILESCCCC(=O)N(CCC(=O)N1CCC(C(=O)OCC)CC1)CCc1ccccc1
InChIInChI=1S/C23H34N2O4/c1-3-8-21(26)24(15-11-19-9-6-5-7-10-19)18-14-22(27)25-16-12-20(13-17-25)23(28)29-4-2/h5-7,9-10,20H,3-4,8,11-18H2,1-2H3
InChIKeyBSPQWENVVKHMRM-UHFFFAOYSA-N
XLogP3.05
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
ethyl 1-[3-[(2-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate
CID 42700153
ethyl 1-[3-[benzyl-[(3-methylphenyl)carbamoyl]amino]propanoyl]piperidine-4-carboxylate
CID 42699516
ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate
CID 170985512
ethyl 1-[3-(4-iodophenyl)propanoyl]piperidine-4-carboxylate
CID 71514462
ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 35763528
3-[butanoyl(2-phenylethyl)amino]propanoic acid
CID 82323377
1-butanoyl-N-phenyl-N-(2-phenylethyl)piperidine-4-carboxamide
CID 86849831
2-methylpropyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 91728658
ethyl 1-[4-(2-methylphenyl)-4-oxobutanoyl]piperidine-4-carboxylate
CID 110676268
ethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 94143908
ethyl 1-[3-[2-methylpropanoyl(1-phenylethyl)amino]propanoyl]piperidine-4-carboxylate
CID 42703172

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[butanoyl(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-[butanoyl(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate (CID 42699660) is ethyl 1-[3-[butanoyl(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-[butanoyl(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-[butanoyl(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate is CCCC(=O)N(CCC(=O)N1CCC(C(=O)OCC)CC1)CCc1ccccc1.
What is the InChIKey of ethyl 1-[3-[butanoyl(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate?
The InChIKey is BSPQWENVVKHMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O4/c1-3-8-21(26)24(15-11-19-9-6-5-7-10-19)18-14-22(27)25-16-12-20(13-17-25)23(28)29-4-2/h5-7,9-10,20H,3-4,8,11-18H2,1-2H3.
What are the key properties of ethyl 1-[3-[butanoyl(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate?
ethyl 1-[3-[butanoyl(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate has a molecular weight of 402.54 g/mol, XLogP of 3.05, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[butanoyl(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 42699660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).