N-[3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide

C19H24FN5O3 — CID 56713233

IUPACN-[3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide
SMILESCCn1c(C2CCN(C(=O)CCNC(=O)c3ccc(F)cc3)CC2)n[nH]c1=O
InChIInChI=1S/C19H24FN5O3/c1-2-25-17(22-23-19(25)28)13-8-11-24(12-9-13)16(26)7-10-21-18(27)14-3-5-15(20)6-4-14/h3-6,13H,2,7-12H2,1H3,(H,21,27)(H,23,28)
InChIKeyQPXHXIKYOGOYGA-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.26
Rot. Bonds6

About N-[3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide

N-[3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide (PubChem CID 56713233) has the molecular formula C19H24FN5O3 and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide
PubChem CID56713233
Molecular FormulaC19H24FN5O3
Molecular Weight389.43 g/mol
Exact Mass389.19
IUPAC NameN-[3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide
SMILESCCn1c(C2CCN(C(=O)CCNC(=O)c3ccc(F)cc3)CC2)n[nH]c1=O
InChIInChI=1S/C19H24FN5O3/c1-2-25-17(22-23-19(25)28)13-8-11-24(12-9-13)16(26)7-10-21-18(27)14-3-5-15(20)6-4-14/h3-6,13H,2,7-12H2,1H3,(H,21,27)(H,23,28)
InChIKeyQPXHXIKYOGOYGA-UHFFFAOYSA-N
XLogP1.26
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide with MolForge

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Related Compounds

6-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 2378215
3-methyl-N-[2-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide
CID 852656
4-methyl-N-[2-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide
CID 852654
5-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-4-(4-methylbenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 91890555
5-[1-(3,5-difluorobenzoyl)-4-piperidyl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 91920084
2-benzyl-5-[1-(4-fluorobenzoyl)piperidin-4-yl]-4H-1,2,4-triazol-3-one
CID 137299549
2-benzyl-5-[1-(2-fluorobenzoyl)piperidin-4-yl]-4H-1,2,4-triazol-3-one
CID 137299559
N-[2-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]-4-methylbenzamide
CID 852655
5-[1-(3-fluorobenzoyl)piperidin-4-yl]-4-(4-methylbenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 91809882
5-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-4-(4-fluorobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 91810096
4-bromo-2-fluoro-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide
CID 45905976
4-cyclopropyl-3-(1-(2,4-difluorobenzoyl)piperidin-4-yl)-1-methyl-1H-1,2,4-triazol-5(4H)-one
CID 73167676

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide?
The IUPAC name of N-[3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide (CID 56713233) is N-[3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide is CCn1c(C2CCN(C(=O)CCNC(=O)c3ccc(F)cc3)CC2)n[nH]c1=O.
What is the InChIKey of N-[3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide?
The InChIKey is QPXHXIKYOGOYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O3/c1-2-25-17(22-23-19(25)28)13-8-11-24(12-9-13)16(26)7-10-21-18(27)14-3-5-15(20)6-4-14/h3-6,13H,2,7-12H2,1H3,(H,21,27)(H,23,28).
What are the key properties of N-[3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide?
N-[3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide has a molecular weight of 389.43 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzamide is sourced from PubChem (CID 56713233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).