[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone

C19H28FN3O — CID 119651602

IUPAC[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCCN1C(=O)C1CCCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C19H28FN3O/c1-21-12-18-8-4-10-23(18)19(24)16-6-3-9-22(14-16)13-15-5-2-7-17(20)11-15/h2,5,7,11,16,18,21H,3-4,6,8-10,12-14H2,1H3
InChIKeyCGDBDOYIBMYSJA-UHFFFAOYSA-N
MW333.45 g/mol
LogP2.25
Rot. Bonds5

About [1-[(3-fluorophenyl)methyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone

[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 119651602) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is [1-[(3-fluorophenyl)methyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID119651602
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC Name[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCCN1C(=O)C1CCCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C19H28FN3O/c1-21-12-18-8-4-10-23(18)19(24)16-6-3-9-22(14-16)13-15-5-2-7-17(20)11-15/h2,5,7,11,16,18,21H,3-4,6,8-10,12-14H2,1H3
InChIKeyCGDBDOYIBMYSJA-UHFFFAOYSA-N
XLogP2.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Analyze [1-[(3-fluorophenyl)methyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea
CID 86859369
(2,3-dimethylpiperazin-1-yl)-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 120571834
(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 95138806
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
[1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119648651
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 47805198
(3S)-N-[2-(dimethylamino)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94816306
1,4-diazepan-1-yl-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone;dihydrochloride
CID 119418013
1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide
CID 47803084
N-[3-(azepan-1-yl)propyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 56545217
N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 119611972

Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluorophenyl)methyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-[(3-fluorophenyl)methyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 119651602) is [1-[(3-fluorophenyl)methyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-[(3-fluorophenyl)methyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-[(3-fluorophenyl)methyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone is CNCC1CCCN1C(=O)C1CCCN(Cc2cccc(F)c2)C1.
What is the InChIKey of [1-[(3-fluorophenyl)methyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is CGDBDOYIBMYSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O/c1-21-12-18-8-4-10-23(18)19(24)16-6-3-9-22(14-16)13-15-5-2-7-17(20)11-15/h2,5,7,11,16,18,21H,3-4,6,8-10,12-14H2,1H3.
What are the key properties of [1-[(3-fluorophenyl)methyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 333.45 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-fluorophenyl)methyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119651602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).