(2,3-dimethylpiperazin-1-yl)-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone

C19H28FN3O — CID 120571834

IUPAC(2,3-dimethylpiperazin-1-yl)-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone
SMILESCC1NCCN(C(=O)C2CCCN(Cc3cccc(F)c3)C2)C1C
InChIInChI=1S/C19H28FN3O/c1-14-15(2)23(10-8-21-14)19(24)17-6-4-9-22(13-17)12-16-5-3-7-18(20)11-16/h3,5,7,11,14-15,17,21H,4,6,8-10,12-13H2,1-2H3
InChIKeyKBYNEACIVISSKN-UHFFFAOYSA-N
MW333.45 g/mol
LogP2.25
Rot. Bonds3

About (2,3-dimethylpiperazin-1-yl)-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone

(2,3-dimethylpiperazin-1-yl)-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone (PubChem CID 120571834) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is (2,3-dimethylpiperazin-1-yl)-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethylpiperazin-1-yl)-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone
PubChem CID120571834
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC Name(2,3-dimethylpiperazin-1-yl)-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone
SMILESCC1NCCN(C(=O)C2CCCN(Cc3cccc(F)c3)C2)C1C
InChIInChI=1S/C19H28FN3O/c1-14-15(2)23(10-8-21-14)19(24)17-6-4-9-22(13-17)12-16-5-3-7-18(20)11-16/h3,5,7,11,14-15,17,21H,4,6,8-10,12-13H2,1-2H3
InChIKeyKBYNEACIVISSKN-UHFFFAOYSA-N
XLogP2.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651602
1,4-diazepan-1-yl-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone;dihydrochloride
CID 119418013
1-[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylic acid
CID 119349333
(3R)-1-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94819145
(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 95138806
1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea
CID 86859369
(2,3-dimethylpiperazin-1-yl)-[1-[(3-fluorophenyl)methyl]triazol-4-yl]methanone;hydrochloride
CID 120572401
1-(2,3-dimethylpiperazin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-one;hydrochloride
CID 120571034
1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide
CID 47803084
1-[(3-fluorophenyl)methyl]-N-(2-piperazin-1-ylethyl)piperidine-3-carboxamide
CID 119448544
(3S)-1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-4-yl)piperidine-3-carboxamide
CID 95275205
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 47805198

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperazin-1-yl)-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone?
The IUPAC name of (2,3-dimethylpiperazin-1-yl)-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone (CID 120571834) is (2,3-dimethylpiperazin-1-yl)-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (2,3-dimethylpiperazin-1-yl)-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for (2,3-dimethylpiperazin-1-yl)-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone is CC1NCCN(C(=O)C2CCCN(Cc3cccc(F)c3)C2)C1C.
What is the InChIKey of (2,3-dimethylpiperazin-1-yl)-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone?
The InChIKey is KBYNEACIVISSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O/c1-14-15(2)23(10-8-21-14)19(24)17-6-4-9-22(13-17)12-16-5-3-7-18(20)11-16/h3,5,7,11,14-15,17,21H,4,6,8-10,12-13H2,1-2H3.
What are the key properties of (2,3-dimethylpiperazin-1-yl)-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone?
(2,3-dimethylpiperazin-1-yl)-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone has a molecular weight of 333.45 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperazin-1-yl)-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 120571834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).