5-amino-N-[4-(2-oxopiperidin-1-yl)cyclohexa-1,5-dien-1-yl]pentanamide

C16H25N3O2 — CID 71040362

IUPAC5-amino-N-[4-(2-oxopiperidin-1-yl)cyclohexa-1,5-dien-1-yl]pentanamide
SMILESNCCCCC(=O)NC1=CCC(N2CCCCC2=O)C=C1
InChIInChI=1S/C16H25N3O2/c17-11-3-1-5-15(20)18-13-7-9-14(10-8-13)19-12-4-2-6-16(19)21/h7-9,14H,1-6,10-12,17H2,(H,18,20)
InChIKeyYZMSQZZMQJGVHH-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.46
Rot. Bonds6

About 5-amino-N-[4-(2-oxopiperidin-1-yl)cyclohexa-1,5-dien-1-yl]pentanamide

5-amino-N-[4-(2-oxopiperidin-1-yl)cyclohexa-1,5-dien-1-yl]pentanamide (PubChem CID 71040362) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 5-amino-N-[4-(2-oxopiperidin-1-yl)cyclohexa-1,5-dien-1-yl]pentanamide.

Molecular Properties

Compound Name5-amino-N-[4-(2-oxopiperidin-1-yl)cyclohexa-1,5-dien-1-yl]pentanamide
PubChem CID71040362
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name5-amino-N-[4-(2-oxopiperidin-1-yl)cyclohexa-1,5-dien-1-yl]pentanamide
SMILESNCCCCC(=O)NC1=CCC(N2CCCCC2=O)C=C1
InChIInChI=1S/C16H25N3O2/c17-11-3-1-5-15(20)18-13-7-9-14(10-8-13)19-12-4-2-6-16(19)21/h7-9,14H,1-6,10-12,17H2,(H,18,20)
InChIKeyYZMSQZZMQJGVHH-UHFFFAOYSA-N
XLogP1.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-(2-oxopiperidin-1-yl)cyclohexa-1,5-dien-1-yl]pentanamide?
The IUPAC name of 5-amino-N-[4-(2-oxopiperidin-1-yl)cyclohexa-1,5-dien-1-yl]pentanamide (CID 71040362) is 5-amino-N-[4-(2-oxopiperidin-1-yl)cyclohexa-1,5-dien-1-yl]pentanamide.
What is the SMILES notation for 5-amino-N-[4-(2-oxopiperidin-1-yl)cyclohexa-1,5-dien-1-yl]pentanamide?
The canonical SMILES for 5-amino-N-[4-(2-oxopiperidin-1-yl)cyclohexa-1,5-dien-1-yl]pentanamide is NCCCCC(=O)NC1=CCC(N2CCCCC2=O)C=C1.
What is the InChIKey of 5-amino-N-[4-(2-oxopiperidin-1-yl)cyclohexa-1,5-dien-1-yl]pentanamide?
The InChIKey is YZMSQZZMQJGVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c17-11-3-1-5-15(20)18-13-7-9-14(10-8-13)19-12-4-2-6-16(19)21/h7-9,14H,1-6,10-12,17H2,(H,18,20).
What are the key properties of 5-amino-N-[4-(2-oxopiperidin-1-yl)cyclohexa-1,5-dien-1-yl]pentanamide?
5-amino-N-[4-(2-oxopiperidin-1-yl)cyclohexa-1,5-dien-1-yl]pentanamide has a molecular weight of 291.40 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-(2-oxopiperidin-1-yl)cyclohexa-1,5-dien-1-yl]pentanamide is sourced from PubChem (CID 71040362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).