phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone

C18H21N3O — CID 2090123

IUPACphenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C18H21N3O/c22-18(16-6-2-1-3-7-16)21-14-12-20(13-15-21)11-9-17-8-4-5-10-19-17/h1-8,10H,9,11-15H2
InChIKeyPADVCUJHQUFPMP-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.08
Rot. Bonds4

About phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone

phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone (PubChem CID 2090123) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
PubChem CID2090123
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Namephenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C18H21N3O/c22-18(16-6-2-1-3-7-16)21-14-12-20(13-15-21)11-9-17-8-4-5-10-19-17/h1-8,10H,9,11-15H2
InChIKeyPADVCUJHQUFPMP-UHFFFAOYSA-N
XLogP2.08
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-propoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 17013548
(5-phenyl-1,2-oxazol-3-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 35574203
(3-phenyl-1H-pyrazol-5-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 71702362
oxalic acid;(4-phenylphenyl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 17365950
3-phenyl-1-[4-(2-pyridin-2-ylethyl)-1,4-diazepan-1-yl]propan-1-one
CID 71923297
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 55057978
[4-(3-chloropropyl)piperazin-1-yl]-phenylmethanone
CID 53486748
pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 704367
3-(4-benzoylpiperazin-1-yl)propanoic acid
CID 2050697
1-[4-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]phenyl]ethanone
CID 91843582
[5-(5-bromothiophen-2-yl)-1H-pyrazol-3-yl]-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 71700586
4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
CID 55179316

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone (CID 2090123) is phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone is O=C(c1ccccc1)N1CCN(CCc2ccccn2)CC1.
What is the InChIKey of phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone?
The InChIKey is PADVCUJHQUFPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c22-18(16-6-2-1-3-7-16)21-14-12-20(13-15-21)11-9-17-8-4-5-10-19-17/h1-8,10H,9,11-15H2.
What are the key properties of phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone?
phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone has a molecular weight of 295.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2090123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).