(E)-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide

C16H25N5O2 — CID 146193078

IUPAC(E)-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide
SMILESCC(N)C(=O)N1CCC(C(C)NC(=O)/C=C/c2cnc[nH]2)CC1
InChIInChI=1S/C16H25N5O2/c1-11(17)16(23)21-7-5-13(6-8-21)12(2)20-15(22)4-3-14-9-18-10-19-14/h3-4,9-13H,5-8,17H2,1-2H3,(H,18,19)(H,20,22)/b4-3+
InChIKeyUFIVFYXNJPGSEY-ONEGZZNKSA-N
MW319.41 g/mol
LogP0.51
Rot. Bonds5

About (E)-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide

(E)-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide (PubChem CID 146193078) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is (E)-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide
PubChem CID146193078
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name(E)-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide
SMILESCC(N)C(=O)N1CCC(C(C)NC(=O)/C=C/c2cnc[nH]2)CC1
InChIInChI=1S/C16H25N5O2/c1-11(17)16(23)21-7-5-13(6-8-21)12(2)20-15(22)4-3-14-9-18-10-19-14/h3-4,9-13H,5-8,17H2,1-2H3,(H,18,19)(H,20,22)/b4-3+
InChIKeyUFIVFYXNJPGSEY-ONEGZZNKSA-N
XLogP0.51
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide (CID 146193078) is (E)-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide is CC(N)C(=O)N1CCC(C(C)NC(=O)/C=C/c2cnc[nH]2)CC1.
What is the InChIKey of (E)-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide?
The InChIKey is UFIVFYXNJPGSEY-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-11(17)16(23)21-7-5-13(6-8-21)12(2)20-15(22)4-3-14-9-18-10-19-14/h3-4,9-13H,5-8,17H2,1-2H3,(H,18,19)(H,20,22)/b4-3+.
What are the key properties of (E)-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide?
(E)-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide has a molecular weight of 319.41 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide is sourced from PubChem (CID 146193078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).