1-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-4-carboxamide

C16H23N3O2 — CID 2999807

IUPAC1-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)CN1CCC(C(N)=O)CC1)c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-12(13-5-3-2-4-6-13)18-15(20)11-19-9-7-14(8-10-19)16(17)21/h2-6,12,14H,7-11H2,1H3,(H2,17,21)(H,18,20)
InChIKeyWRXDFCYUNTUIRM-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.06
Rot. Bonds5

About 1-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-4-carboxamide

1-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-4-carboxamide (PubChem CID 2999807) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-4-carboxamide
PubChem CID2999807
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)CN1CCC(C(N)=O)CC1)c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-12(13-5-3-2-4-6-13)18-15(20)11-19-9-7-14(8-10-19)16(17)21/h2-6,12,14H,7-11H2,1H3,(H2,17,21)(H,18,20)
InChIKeyWRXDFCYUNTUIRM-UHFFFAOYSA-N
XLogP1.06
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-4-carboxamide (CID 2999807) is 1-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-4-carboxamide is CC(NC(=O)CN1CCC(C(N)=O)CC1)c1ccccc1.
What is the InChIKey of 1-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-4-carboxamide?
The InChIKey is WRXDFCYUNTUIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(13-5-3-2-4-6-13)18-15(20)11-19-9-7-14(8-10-19)16(17)21/h2-6,12,14H,7-11H2,1H3,(H2,17,21)(H,18,20).
What are the key properties of 1-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-4-carboxamide?
1-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 2999807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).