1-[(2S)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]imidazolidin-2-one

C15H21N5O2 — CID 8619055

IUPAC1-[(2S)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]imidazolidin-2-one
SMILESC[C@@H](C(=O)N1CCNC1=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H21N5O2/c1-12(14(21)20-7-6-17-15(20)22)18-8-10-19(11-9-18)13-4-2-3-5-16-13/h2-5,12H,6-11H2,1H3,(H,17,22)/t12-/m0/s1
InChIKeyUYNHEYLTOLVFEM-LBPRGKRZSA-N
MW303.37 g/mol
LogP0.14
Rot. Bonds3

About 1-[(2S)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]imidazolidin-2-one

1-[(2S)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]imidazolidin-2-one (PubChem CID 8619055) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-[(2S)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]imidazolidin-2-one
PubChem CID8619055
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name1-[(2S)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]imidazolidin-2-one
SMILESC[C@@H](C(=O)N1CCNC1=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H21N5O2/c1-12(14(21)20-7-6-17-15(20)22)18-8-10-19(11-9-18)13-4-2-3-5-16-13/h2-5,12H,6-11H2,1H3,(H,17,22)/t12-/m0/s1
InChIKeyUYNHEYLTOLVFEM-LBPRGKRZSA-N
XLogP0.14
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 8596893
(2R)-N-(2,6-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9459314
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CID 94661500
3-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol
CID 78976730
N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17450770
(2R)-N-(2,6-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446073
N-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 42912077
(2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9459358
1-[(2R)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanoyl]imidazolidin-2-one
CID 8692349
N-(cyclohexylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4030737
5-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]furan-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2S)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]imidazolidin-2-one (CID 8619055) is 1-[(2S)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2S)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]imidazolidin-2-one is C[C@@H](C(=O)N1CCNC1=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-[(2S)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]imidazolidin-2-one?
The InChIKey is UYNHEYLTOLVFEM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-12(14(21)20-7-6-17-15(20)22)18-8-10-19(11-9-18)13-4-2-3-5-16-13/h2-5,12H,6-11H2,1H3,(H,17,22)/t12-/m0/s1.
What are the key properties of 1-[(2S)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]imidazolidin-2-one?
1-[(2S)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]imidazolidin-2-one has a molecular weight of 303.37 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]imidazolidin-2-one is sourced from PubChem (CID 8619055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).