2-[1-[4-[butyl(methyl)amino]benzoyl]piperidin-4-yl]-2-fluoroacetamide

C19H28FN3O2 — CID 126830333

IUPAC2-[1-[4-[butyl(methyl)amino]benzoyl]piperidin-4-yl]-2-fluoroacetamide
SMILESCCCCN(C)c1ccc(C(=O)N2CCC(C(F)C(N)=O)CC2)cc1
InChIInChI=1S/C19H28FN3O2/c1-3-4-11-22(2)16-7-5-15(6-8-16)19(25)23-12-9-14(10-13-23)17(20)18(21)24/h5-8,14,17H,3-4,9-13H2,1-2H3,(H2,21,24)
InChIKeyKTQSNABRVPGSHG-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.60
Rot. Bonds7

About 2-[1-[4-[butyl(methyl)amino]benzoyl]piperidin-4-yl]-2-fluoroacetamide

2-[1-[4-[butyl(methyl)amino]benzoyl]piperidin-4-yl]-2-fluoroacetamide (PubChem CID 126830333) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is 2-[1-[4-[butyl(methyl)amino]benzoyl]piperidin-4-yl]-2-fluoroacetamide.

Molecular Properties

Compound Name2-[1-[4-[butyl(methyl)amino]benzoyl]piperidin-4-yl]-2-fluoroacetamide
PubChem CID126830333
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name2-[1-[4-[butyl(methyl)amino]benzoyl]piperidin-4-yl]-2-fluoroacetamide
SMILESCCCCN(C)c1ccc(C(=O)N2CCC(C(F)C(N)=O)CC2)cc1
InChIInChI=1S/C19H28FN3O2/c1-3-4-11-22(2)16-7-5-15(6-8-16)19(25)23-12-9-14(10-13-23)17(20)18(21)24/h5-8,14,17H,3-4,9-13H2,1-2H3,(H2,21,24)
InChIKeyKTQSNABRVPGSHG-UHFFFAOYSA-N
XLogP2.60
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-[4-[butyl(methyl)amino]phenyl]methanone;dihydrochloride
CID 119374740
[4-(methylamino)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone;dihydrochloride
CID 119564141
[4-(ethylaminomethyl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone
CID 119648502
[4-[butyl(methyl)amino]phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 126830084
[4-(dimethylamino)phenyl]-[4-(1-hydroxypropyl)piperidin-1-yl]methanone
CID 112537605
(3-aminopiperidin-1-yl)-[4-[methyl(propyl)amino]phenyl]methanone
CID 119381942
3-amino-N-[[1-[4-[butyl(methyl)amino]benzoyl]piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120578968
N-butyl-1-[4-(difluoromethylsulfonyl)benzoyl]-N-methylpiperidine-4-carboxamide
CID 55950780
[4-(dimethylamino)azepan-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone
CID 77086648
[4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone
CID 118929982
2-(1-benzoylpiperidin-4-yl)propanamide
CID 70046438
(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-[butyl(methyl)amino]phenyl]methanone
CID 126838819

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[butyl(methyl)amino]benzoyl]piperidin-4-yl]-2-fluoroacetamide?
The IUPAC name of 2-[1-[4-[butyl(methyl)amino]benzoyl]piperidin-4-yl]-2-fluoroacetamide (CID 126830333) is 2-[1-[4-[butyl(methyl)amino]benzoyl]piperidin-4-yl]-2-fluoroacetamide.
What is the SMILES notation for 2-[1-[4-[butyl(methyl)amino]benzoyl]piperidin-4-yl]-2-fluoroacetamide?
The canonical SMILES for 2-[1-[4-[butyl(methyl)amino]benzoyl]piperidin-4-yl]-2-fluoroacetamide is CCCCN(C)c1ccc(C(=O)N2CCC(C(F)C(N)=O)CC2)cc1.
What is the InChIKey of 2-[1-[4-[butyl(methyl)amino]benzoyl]piperidin-4-yl]-2-fluoroacetamide?
The InChIKey is KTQSNABRVPGSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-3-4-11-22(2)16-7-5-15(6-8-16)19(25)23-12-9-14(10-13-23)17(20)18(21)24/h5-8,14,17H,3-4,9-13H2,1-2H3,(H2,21,24).
What are the key properties of 2-[1-[4-[butyl(methyl)amino]benzoyl]piperidin-4-yl]-2-fluoroacetamide?
2-[1-[4-[butyl(methyl)amino]benzoyl]piperidin-4-yl]-2-fluoroacetamide has a molecular weight of 349.45 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[butyl(methyl)amino]benzoyl]piperidin-4-yl]-2-fluoroacetamide is sourced from PubChem (CID 126830333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).