ethyl 4-[[2-(cyclohexanecarbonylamino)-3-phenylpropanoyl]amino]piperidine-1-carboxylate

C24H35N3O4 — CID 3239893

IUPACethyl 4-[[2-(cyclohexanecarbonylamino)-3-phenylpropanoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C(Cc2ccccc2)NC(=O)C2CCCCC2)CC1
InChIInChI=1S/C24H35N3O4/c1-2-31-24(30)27-15-13-20(14-16-27)25-23(29)21(17-18-9-5-3-6-10-18)26-22(28)19-11-7-4-8-12-19/h3,5-6,9-10,19-21H,2,4,7-8,11-17H2,1H3,(H,25,29)(H,26,28)
InChIKeyDLHXECUKFCNUOI-UHFFFAOYSA-N
MW429.56 g/mol
LogP3.03
Rot. Bonds7

About ethyl 4-[[2-(cyclohexanecarbonylamino)-3-phenylpropanoyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(cyclohexanecarbonylamino)-3-phenylpropanoyl]amino]piperidine-1-carboxylate (PubChem CID 3239893) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is ethyl 4-[[2-(cyclohexanecarbonylamino)-3-phenylpropanoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(cyclohexanecarbonylamino)-3-phenylpropanoyl]amino]piperidine-1-carboxylate
PubChem CID3239893
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC Nameethyl 4-[[2-(cyclohexanecarbonylamino)-3-phenylpropanoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C(Cc2ccccc2)NC(=O)C2CCCCC2)CC1
InChIInChI=1S/C24H35N3O4/c1-2-31-24(30)27-15-13-20(14-16-27)25-23(29)21(17-18-9-5-3-6-10-18)26-22(28)19-11-7-4-8-12-19/h3,5-6,9-10,19-21H,2,4,7-8,11-17H2,1H3,(H,25,29)(H,26,28)
InChIKeyDLHXECUKFCNUOI-UHFFFAOYSA-N
XLogP3.03
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(cyclohexanecarbonylamino)-3-phenylpropanoyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(cyclohexanecarbonylamino)-3-phenylpropanoyl]amino]piperidine-1-carboxylate (CID 3239893) is ethyl 4-[[2-(cyclohexanecarbonylamino)-3-phenylpropanoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(cyclohexanecarbonylamino)-3-phenylpropanoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(cyclohexanecarbonylamino)-3-phenylpropanoyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C(Cc2ccccc2)NC(=O)C2CCCCC2)CC1.
What is the InChIKey of ethyl 4-[[2-(cyclohexanecarbonylamino)-3-phenylpropanoyl]amino]piperidine-1-carboxylate?
The InChIKey is DLHXECUKFCNUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-2-31-24(30)27-15-13-20(14-16-27)25-23(29)21(17-18-9-5-3-6-10-18)26-22(28)19-11-7-4-8-12-19/h3,5-6,9-10,19-21H,2,4,7-8,11-17H2,1H3,(H,25,29)(H,26,28).
What are the key properties of ethyl 4-[[2-(cyclohexanecarbonylamino)-3-phenylpropanoyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(cyclohexanecarbonylamino)-3-phenylpropanoyl]amino]piperidine-1-carboxylate has a molecular weight of 429.56 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(cyclohexanecarbonylamino)-3-phenylpropanoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 3239893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).