[1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone

C19H26FN3O2 — CID 119648651

IUPAC[1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCCN1C(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H26FN3O2/c1-21-12-17-5-3-11-23(17)19(25)15-4-2-10-22(13-15)18(24)14-6-8-16(20)9-7-14/h6-9,15,17,21H,2-5,10-13H2,1H3
InChIKeyMKNWATIIQDIWID-UHFFFAOYSA-N
MW347.43 g/mol
LogP1.89
Rot. Bonds4

About [1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone

[1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 119648651) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is [1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID119648651
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name[1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCCN1C(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H26FN3O2/c1-21-12-17-5-3-11-23(17)19(25)15-4-2-10-22(13-15)18(24)14-6-8-16(20)9-7-14/h6-9,15,17,21H,2-5,10-13H2,1H3
InChIKeyMKNWATIIQDIWID-UHFFFAOYSA-N
XLogP1.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
(2S)-1-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365938
[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119648790
(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492733
[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492735
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110883925
(4-fluorophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264042
1-(4-fluorophenyl)-4-[2-(methylaminomethyl)pyrrolidin-1-yl]butane-1,4-dione
CID 119650890
[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651602
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 119648651) is [1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone is CNCC1CCCN1C(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of [1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is MKNWATIIQDIWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-21-12-17-5-3-11-23(17)19(25)15-4-2-10-22(13-15)18(24)14-6-8-16(20)9-7-14/h6-9,15,17,21H,2-5,10-13H2,1H3.
What are the key properties of [1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
[1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 347.43 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119648651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).