1-[2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethyl]imidazolidin-2-one

C14H22N6O — CID 43462485

IUPAC1-[2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethyl]imidazolidin-2-one
SMILESNc1cnccc1N1CCN(CCN2CCNC2=O)CC1
InChIInChI=1S/C14H22N6O/c15-12-11-16-2-1-13(12)19-8-5-18(6-9-19)7-10-20-4-3-17-14(20)21/h1-2,11H,3-10,15H2,(H,17,21)
InChIKeyHTPMIDVWKCYRFB-UHFFFAOYSA-N
MW290.37 g/mol
LogP-0.19
Rot. Bonds4

About 1-[2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethyl]imidazolidin-2-one

1-[2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 43462485) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethyl]imidazolidin-2-one
PubChem CID43462485
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name1-[2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethyl]imidazolidin-2-one
SMILESNc1cnccc1N1CCN(CCN2CCNC2=O)CC1
InChIInChI=1S/C14H22N6O/c15-12-11-16-2-1-13(12)19-8-5-18(6-9-19)7-10-20-4-3-17-14(20)21/h1-2,11H,3-10,15H2,(H,17,21)
InChIKeyHTPMIDVWKCYRFB-UHFFFAOYSA-N
XLogP-0.19
TPSA77.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethyl]imidazolidin-2-one (CID 43462485) is 1-[2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethyl]imidazolidin-2-one is Nc1cnccc1N1CCN(CCN2CCNC2=O)CC1.
What is the InChIKey of 1-[2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is HTPMIDVWKCYRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c15-12-11-16-2-1-13(12)19-8-5-18(6-9-19)7-10-20-4-3-17-14(20)21/h1-2,11H,3-10,15H2,(H,17,21).
What are the key properties of 1-[2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 290.37 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 43462485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).