N-[4-(2-methylbutylamino)pent-4-enyl]-2-(2-oxopiperidin-1-yl)acetamide

C17H31N3O2 — CID 139516962

IUPACN-[4-(2-methylbutylamino)pent-4-enyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESC=C(CCCNC(=O)CN1CCCCC1=O)NCC(C)CC
InChIInChI=1S/C17H31N3O2/c1-4-14(2)12-19-15(3)8-7-10-18-16(21)13-20-11-6-5-9-17(20)22/h14,19H,3-13H2,1-2H3,(H,18,21)
InChIKeyDXESPAMLKOIWBZ-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.04
Rot. Bonds10

About N-[4-(2-methylbutylamino)pent-4-enyl]-2-(2-oxopiperidin-1-yl)acetamide

N-[4-(2-methylbutylamino)pent-4-enyl]-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 139516962) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-[4-(2-methylbutylamino)pent-4-enyl]-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2-methylbutylamino)pent-4-enyl]-2-(2-oxopiperidin-1-yl)acetamide
PubChem CID139516962
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-[4-(2-methylbutylamino)pent-4-enyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESC=C(CCCNC(=O)CN1CCCCC1=O)NCC(C)CC
InChIInChI=1S/C17H31N3O2/c1-4-14(2)12-19-15(3)8-7-10-18-16(21)13-20-11-6-5-9-17(20)22/h14,19H,3-13H2,1-2H3,(H,18,21)
InChIKeyDXESPAMLKOIWBZ-UHFFFAOYSA-N
XLogP2.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.04
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 N-[4-(2-methylbutylamino)pent-4-enyl]-2-(2-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-[4-(2-methylbutylamino)pent-4-enyl]-2-(2-oxopiperidin-1-yl)acetamide (CID 139516962) is N-[4-(2-methylbutylamino)pent-4-enyl]-2-(2-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(2-methylbutylamino)pent-4-enyl]-2-(2-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-[4-(2-methylbutylamino)pent-4-enyl]-2-(2-oxopiperidin-1-yl)acetamide is C=C(CCCNC(=O)CN1CCCCC1=O)NCC(C)CC.
What is the InChIKey of N-[4-(2-methylbutylamino)pent-4-enyl]-2-(2-oxopiperidin-1-yl)acetamide?
The InChIKey is DXESPAMLKOIWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-4-14(2)12-19-15(3)8-7-10-18-16(21)13-20-11-6-5-9-17(20)22/h14,19H,3-13H2,1-2H3,(H,18,21).
What are the key properties of N-[4-(2-methylbutylamino)pent-4-enyl]-2-(2-oxopiperidin-1-yl)acetamide?
N-[4-(2-methylbutylamino)pent-4-enyl]-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 309.45 g/mol, XLogP of 2.04, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbutylamino)pent-4-enyl]-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 139516962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).