1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C18H25N7O — CID 70707253

IUPAC1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ncccn2)CC1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C18H25N7O/c26-16(24-8-2-15(3-9-24)17-19-6-7-20-17)14-23-10-12-25(13-11-23)18-21-4-1-5-22-18/h1,4-7,15H,2-3,8-14H2,(H,19,20)
InChIKeyCXRRKNIVAPKOCT-UHFFFAOYSA-N
MW355.45 g/mol
LogP0.73
Rot. Bonds4

About 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 70707253) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID70707253
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ncccn2)CC1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C18H25N7O/c26-16(24-8-2-15(3-9-24)17-19-6-7-20-17)14-23-10-12-25(13-11-23)18-21-4-1-5-22-18/h1,4-7,15H,2-3,8-14H2,(H,19,20)
InChIKeyCXRRKNIVAPKOCT-UHFFFAOYSA-N
XLogP0.73
TPSA81.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17148603
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 110688001
3-chloro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 110480830
2-(4-methylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108995384
5-[4-(1H-imidazol-2-yl)piperidin-1-yl]-5-oxopentanoic acid
CID 110482691
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110725809
1-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 72933941
(6R,11S)-11-hydroxy-8-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 164696122
[(3S)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
CID 125179745
1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 111446252
2-(2,1,3-benzothiadiazol-4-yl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 166262777
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 72842618

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 70707253) is 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is O=C(CN1CCN(c2ncccn2)CC1)N1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is CXRRKNIVAPKOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c26-16(24-8-2-15(3-9-24)17-19-6-7-20-17)14-23-10-12-25(13-11-23)18-21-4-1-5-22-18/h1,4-7,15H,2-3,8-14H2,(H,19,20).
What are the key properties of 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 355.45 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 70707253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).