ethyl 4-(3-phenylpropanoylamino)piperidine-1-carboxylate

C17H24N2O3 — CID 4566793

IUPACethyl 4-(3-phenylpropanoylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C17H24N2O3/c1-2-22-17(21)19-12-10-15(11-13-19)18-16(20)9-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,18,20)
InChIKeyMHWMSAGHNAHBSM-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.36
Rot. Bonds5

About ethyl 4-(3-phenylpropanoylamino)piperidine-1-carboxylate

ethyl 4-(3-phenylpropanoylamino)piperidine-1-carboxylate (PubChem CID 4566793) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl 4-(3-phenylpropanoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-phenylpropanoylamino)piperidine-1-carboxylate
PubChem CID4566793
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nameethyl 4-(3-phenylpropanoylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C17H24N2O3/c1-2-22-17(21)19-12-10-15(11-13-19)18-16(20)9-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,18,20)
InChIKeyMHWMSAGHNAHBSM-UHFFFAOYSA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-phenylpropanoylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(3-phenylpropanoylamino)piperidine-1-carboxylate (CID 4566793) is ethyl 4-(3-phenylpropanoylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-phenylpropanoylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-phenylpropanoylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of ethyl 4-(3-phenylpropanoylamino)piperidine-1-carboxylate?
The InChIKey is MHWMSAGHNAHBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-2-22-17(21)19-12-10-15(11-13-19)18-16(20)9-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,18,20).
What are the key properties of ethyl 4-(3-phenylpropanoylamino)piperidine-1-carboxylate?
ethyl 4-(3-phenylpropanoylamino)piperidine-1-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-phenylpropanoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 4566793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).