1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]-2-pyrrolidin-3-ylethanone

C20H25N5O — CID 74239749

IUPAC1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]-2-pyrrolidin-3-ylethanone
SMILESO=C(CC1CCNC1)N1CCN(c2nccc(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H25N5O/c26-19(14-16-6-8-21-15-16)24-10-12-25(13-11-24)20-22-9-7-18(23-20)17-4-2-1-3-5-17/h1-5,7,9,16,21H,6,8,10-15H2
InChIKeyBDWJSSBPBDHDLI-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.79
Rot. Bonds4

About 1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]-2-pyrrolidin-3-ylethanone

1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]-2-pyrrolidin-3-ylethanone (PubChem CID 74239749) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]-2-pyrrolidin-3-ylethanone.

Molecular Properties

Compound Name1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]-2-pyrrolidin-3-ylethanone
PubChem CID74239749
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]-2-pyrrolidin-3-ylethanone
SMILESO=C(CC1CCNC1)N1CCN(c2nccc(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H25N5O/c26-19(14-16-6-8-21-15-16)24-10-12-25(13-11-24)20-22-9-7-18(23-20)17-4-2-1-3-5-17/h1-5,7,9,16,21H,6,8,10-15H2
InChIKeyBDWJSSBPBDHDLI-UHFFFAOYSA-N
XLogP1.79
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylpiperidin-2-yl)-1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 77089142
[(2R)-morpholin-2-yl]-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 125178265
2-cyclopentyl-1-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122343767
2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 78768063
2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 69083843
1-[4-[4-(4-tert-butylphenyl)pyrimidin-2-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 46081665
1-[4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]hexan-1-one
CID 46082185
(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate
CID 58032701
ethyl 4-oxo-4-[4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]butanoate
CID 46081743
N-[(2S)-2-methoxypropyl]-4-(4-phenylpyrimidin-2-yl)piperazine-1-carboxamide
CID 125448423
2-[4-[[(3S)-oxolan-3-yl]methyl]piperazin-1-yl]-4-phenylpyrimidine
CID 124754745
1-methyl-5-[4-(4-phenylpyrimidin-2-yl)piperazine-1-carbonyl]pyridin-2-one
CID 77090822

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]-2-pyrrolidin-3-ylethanone?
The IUPAC name of 1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]-2-pyrrolidin-3-ylethanone (CID 74239749) is 1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]-2-pyrrolidin-3-ylethanone.
What is the SMILES notation for 1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]-2-pyrrolidin-3-ylethanone?
The canonical SMILES for 1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]-2-pyrrolidin-3-ylethanone is O=C(CC1CCNC1)N1CCN(c2nccc(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]-2-pyrrolidin-3-ylethanone?
The InChIKey is BDWJSSBPBDHDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c26-19(14-16-6-8-21-15-16)24-10-12-25(13-11-24)20-22-9-7-18(23-20)17-4-2-1-3-5-17/h1-5,7,9,16,21H,6,8,10-15H2.
What are the key properties of 1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]-2-pyrrolidin-3-ylethanone?
1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]-2-pyrrolidin-3-ylethanone has a molecular weight of 351.45 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]-2-pyrrolidin-3-ylethanone is sourced from PubChem (CID 74239749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).