2-[(2S)-2-phenylpyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C21H26N4O — CID 41359979

IUPAC2-[(2S)-2-phenylpyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCC[C@H]1c1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H26N4O/c26-21(17-25-12-6-9-19(25)18-7-2-1-3-8-18)24-15-13-23(14-16-24)20-10-4-5-11-22-20/h1-5,7-8,10-11,19H,6,9,12-17H2/t19-/m0/s1
InChIKeyUXMKZSUIGWQULG-IBGZPJMESA-N
MW350.47 g/mol
LogP2.57
Rot. Bonds4

About 2-[(2S)-2-phenylpyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-[(2S)-2-phenylpyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 41359979) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[(2S)-2-phenylpyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(2S)-2-phenylpyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID41359979
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-[(2S)-2-phenylpyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCC[C@H]1c1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H26N4O/c26-21(17-25-12-6-9-19(25)18-7-2-1-3-8-18)24-15-13-23(14-16-24)20-10-4-5-11-22-20/h1-5,7-8,10-11,19H,6,9,12-17H2/t19-/m0/s1
InChIKeyUXMKZSUIGWQULG-IBGZPJMESA-N
XLogP2.57
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-2-phenylpyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

2-(2-ethylpiperidin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109004744
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 100909658
1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
CID 42950439
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292
1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 111446252
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
2-(2-pyridin-2-ylpyrrolidin-1-yl)acetic acid
CID 131863720
1-(4-benzylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8547000
2-nitro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108814544
2-(N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]anilino)acetic acid
CID 25220077
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-phenylpyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(2S)-2-phenylpyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 41359979) is 2-[(2S)-2-phenylpyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(2S)-2-phenylpyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(2S)-2-phenylpyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is O=C(CN1CCC[C@H]1c1ccccc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-[(2S)-2-phenylpyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is UXMKZSUIGWQULG-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N4O/c26-21(17-25-12-6-9-19(25)18-7-2-1-3-8-18)24-15-13-23(14-16-24)20-10-4-5-11-22-20/h1-5,7-8,10-11,19H,6,9,12-17H2/t19-/m0/s1.
What are the key properties of 2-[(2S)-2-phenylpyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-[(2S)-2-phenylpyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 350.47 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-phenylpyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 41359979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).