1-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C20H29N7O — CID 72933941

IUPAC1-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ncccn2)CC1)N1CCC(CCn2cccn2)CC1
InChIInChI=1S/C20H29N7O/c28-19(17-24-13-15-26(16-14-24)20-21-6-1-7-22-20)25-10-3-18(4-11-25)5-12-27-9-2-8-23-27/h1-2,6-9,18H,3-5,10-17H2
InChIKeyQQVLVCFUGHPSMH-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.12
Rot. Bonds6

About 1-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

1-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 72933941) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID72933941
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name1-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ncccn2)CC1)N1CCC(CCn2cccn2)CC1
InChIInChI=1S/C20H29N7O/c28-19(17-24-13-15-26(16-14-24)20-21-6-1-7-22-20)25-10-3-18(4-11-25)5-12-27-9-2-8-23-27/h1-2,6-9,18H,3-5,10-17H2
InChIKeyQQVLVCFUGHPSMH-UHFFFAOYSA-N
XLogP1.12
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17148603
2-(4-methylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108995384
1-(4-aminopiperidin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 39311838
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 110688001
[(3S)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
CID 125179745
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 70707253
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 8595561
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 34160717
1-phenyl-4-[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethyl]piperazine
CID 91831285
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 90495308
2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90508652
1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 111446252

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 72933941) is 1-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is O=C(CN1CCN(c2ncccn2)CC1)N1CCC(CCn2cccn2)CC1.
What is the InChIKey of 1-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is QQVLVCFUGHPSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c28-19(17-24-13-15-26(16-14-24)20-21-6-1-7-22-20)25-10-3-18(4-11-25)5-12-27-9-2-8-23-27/h1-2,6-9,18H,3-5,10-17H2.
What are the key properties of 1-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
1-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 383.50 g/mol, XLogP of 1.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 72933941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).