1-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide

C16H25N5O2 — CID 126899618

IUPAC1-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCn1ccnc1CCN1CCC(N2CC(C(N)=O)CC2=O)CC1
InChIInChI=1S/C16H25N5O2/c1-19-9-5-18-14(19)4-8-20-6-2-13(3-7-20)21-11-12(16(17)23)10-15(21)22/h5,9,12-13H,2-4,6-8,10-11H2,1H3,(H2,17,23)
InChIKeyAFIHMNXZQDTJDB-UHFFFAOYSA-N
MW319.41 g/mol
LogP-0.24
Rot. Bonds5

About 1-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide

1-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 126899618) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID126899618
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name1-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCn1ccnc1CCN1CCC(N2CC(C(N)=O)CC2=O)CC1
InChIInChI=1S/C16H25N5O2/c1-19-9-5-18-14(19)4-8-20-6-2-13(3-7-20)21-11-12(16(17)23)10-15(21)22/h5,9,12-13H,2-4,6-8,10-11H2,1H3,(H2,17,23)
InChIKeyAFIHMNXZQDTJDB-UHFFFAOYSA-N
XLogP-0.24
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide (CID 126899618) is 1-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide is Cn1ccnc1CCN1CCC(N2CC(C(N)=O)CC2=O)CC1.
What is the InChIKey of 1-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AFIHMNXZQDTJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-19-9-5-18-14(19)4-8-20-6-2-13(3-7-20)21-11-12(16(17)23)10-15(21)22/h5,9,12-13H,2-4,6-8,10-11H2,1H3,(H2,17,23).
What are the key properties of 1-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
1-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 126899618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).