4-(2-phenoxyethyl)-N-propylpiperidine-1-carboxamide

C17H26N2O2 — CID 53151104

IUPAC4-(2-phenoxyethyl)-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(CCOc2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-2-11-18-17(20)19-12-8-15(9-13-19)10-14-21-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H,18,20)
InChIKeyOXZKAQDUSDYSRV-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.29
Rot. Bonds6

About 4-(2-phenoxyethyl)-N-propylpiperidine-1-carboxamide

4-(2-phenoxyethyl)-N-propylpiperidine-1-carboxamide (PubChem CID 53151104) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(2-phenoxyethyl)-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-phenoxyethyl)-N-propylpiperidine-1-carboxamide
PubChem CID53151104
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-(2-phenoxyethyl)-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(CCOc2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-2-11-18-17(20)19-12-8-15(9-13-19)10-14-21-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H,18,20)
InChIKeyOXZKAQDUSDYSRV-UHFFFAOYSA-N
XLogP3.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenoxyethyl)-N-propylpiperidine-1-carboxamide?
The IUPAC name of 4-(2-phenoxyethyl)-N-propylpiperidine-1-carboxamide (CID 53151104) is 4-(2-phenoxyethyl)-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(2-phenoxyethyl)-N-propylpiperidine-1-carboxamide?
The canonical SMILES for 4-(2-phenoxyethyl)-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1CCC(CCOc2ccccc2)CC1.
What is the InChIKey of 4-(2-phenoxyethyl)-N-propylpiperidine-1-carboxamide?
The InChIKey is OXZKAQDUSDYSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-11-18-17(20)19-12-8-15(9-13-19)10-14-21-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H,18,20).
What are the key properties of 4-(2-phenoxyethyl)-N-propylpiperidine-1-carboxamide?
4-(2-phenoxyethyl)-N-propylpiperidine-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenoxyethyl)-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 53151104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).