3-pyridin-4-yl-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propan-1-one

C22H27N3O — CID 95709460

IUPAC3-pyridin-4-yl-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccncc1)N1CCN([C@@H]2CCc3ccccc3C2)CC1
InChIInChI=1S/C22H27N3O/c26-22(8-5-18-9-11-23-12-10-18)25-15-13-24(14-16-25)21-7-6-19-3-1-2-4-20(19)17-21/h1-4,9-12,21H,5-8,13-17H2/t21-/m1/s1
InChIKeyVAAWJHMRKGGKEJ-OAQYLSRUSA-N
MW349.48 g/mol
LogP2.72
Rot. Bonds4

About 3-pyridin-4-yl-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propan-1-one

3-pyridin-4-yl-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propan-1-one (PubChem CID 95709460) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 3-pyridin-4-yl-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-pyridin-4-yl-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propan-1-one
PubChem CID95709460
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name3-pyridin-4-yl-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccncc1)N1CCN([C@@H]2CCc3ccccc3C2)CC1
InChIInChI=1S/C22H27N3O/c26-22(8-5-18-9-11-23-12-10-18)25-15-13-24(14-16-25)21-7-6-19-3-1-2-4-20(19)17-21/h1-4,9-12,21H,5-8,13-17H2/t21-/m1/s1
InChIKeyVAAWJHMRKGGKEJ-OAQYLSRUSA-N
XLogP2.72
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-amino-1,3-thiazol-4-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one
CID 56900936
1-(4-cyclopropylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110708530
N-[3-oxo-3-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propyl]methanesulfonamide
CID 95728525
1-[3-oxo-3-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one
CID 95726224
2-[methyl(pyridin-3-ylmethyl)amino]-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethanone
CID 95707541
1-[2-oxo-2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 56883257
1-(3-pyridin-4-ylpropanoyl)piperidin-4-one
CID 82475134
2-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carbonyl]amino]acetic acid
CID 126434125
3-(4-aminophenyl)-1-(4-cyclopropylpiperazin-1-yl)propan-1-one
CID 61116139
2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]acetic acid
CID 56701450
4-[2-oxo-2-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethyl]-1,2-dihydropyridazine-3,6-dione
CID 99944895
(2-ethyl-4-pyridinyl)-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56913190

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-pyridin-4-yl-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propan-1-one (CID 95709460) is 3-pyridin-4-yl-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-pyridin-4-yl-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-pyridin-4-yl-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propan-1-one is O=C(CCc1ccncc1)N1CCN([C@@H]2CCc3ccccc3C2)CC1.
What is the InChIKey of 3-pyridin-4-yl-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propan-1-one?
The InChIKey is VAAWJHMRKGGKEJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H27N3O/c26-22(8-5-18-9-11-23-12-10-18)25-15-13-24(14-16-25)21-7-6-19-3-1-2-4-20(19)17-21/h1-4,9-12,21H,5-8,13-17H2/t21-/m1/s1.
What are the key properties of 3-pyridin-4-yl-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propan-1-one?
3-pyridin-4-yl-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propan-1-one has a molecular weight of 349.48 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 95709460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).