1-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone

C22H29N5O2 — CID 120879828

IUPAC1-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
SMILESCn1ccnc1C1CNCCN1C(=O)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C22H29N5O2/c1-25-12-10-24-21(25)19-15-23-9-13-27(19)22(29)18-8-5-11-26(16-18)20(28)14-17-6-3-2-4-7-17/h2-4,6-7,10,12,18-19,23H,5,8-9,11,13-16H2,1H3
InChIKeyLORNNANNGOAXSS-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.37
Rot. Bonds4

About 1-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone

1-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone (PubChem CID 120879828) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 1-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
PubChem CID120879828
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name1-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
SMILESCn1ccnc1C1CNCCN1C(=O)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C22H29N5O2/c1-25-12-10-24-21(25)19-15-23-9-13-27(19)22(29)18-8-5-11-26(16-18)20(28)14-17-6-3-2-4-7-17/h2-4,6-7,10,12,18-19,23H,5,8-9,11,13-16H2,1H3
InChIKeyLORNNANNGOAXSS-UHFFFAOYSA-N
XLogP1.37
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclooctyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120879549
N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
CID 120880644
2-(2-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879127
2-(2,6-dichlorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120880473
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one
CID 120880922
6-bicyclo[3.1.0]hexanyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880027
1-[3-(1,4-diazepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 119418627
2-(4-ethoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878647
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one
CID 120879518
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride
CID 120879343
1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119454204
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone;hydrochloride
CID 120877941

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone (CID 120879828) is 1-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone is Cn1ccnc1C1CNCCN1C(=O)C1CCCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of 1-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone?
The InChIKey is LORNNANNGOAXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-25-12-10-24-21(25)19-15-23-9-13-27(19)22(29)18-8-5-11-26(16-18)20(28)14-17-6-3-2-4-7-17/h2-4,6-7,10,12,18-19,23H,5,8-9,11,13-16H2,1H3.
What are the key properties of 1-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone?
1-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone has a molecular weight of 395.51 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 120879828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).