N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)propanamide

C26H30FN5O3 — CID 71606885

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)propanamide
SMILESO=C(CCN1CCc2cccc3c2C1CNC3=O)NCC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C26H30FN5O3/c27-20-6-1-2-7-21(20)31-12-14-32(15-13-31)24(34)17-28-23(33)9-11-30-10-8-18-4-3-5-19-25(18)22(30)16-29-26(19)35/h1-7,22H,8-17H2,(H,28,33)(H,29,35)
InChIKeySIMOJUUGNCRQQM-UHFFFAOYSA-N
MW479.56 g/mol
LogP1.32
Rot. Bonds6

About N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)propanamide

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)propanamide (PubChem CID 71606885) has the molecular formula C26H30FN5O3 and a molecular weight of 479.56 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)propanamide
PubChem CID71606885
Molecular FormulaC26H30FN5O3
Molecular Weight479.56 g/mol
Exact Mass479.23
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)propanamide
SMILESO=C(CCN1CCc2cccc3c2C1CNC3=O)NCC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C26H30FN5O3/c27-20-6-1-2-7-21(20)31-12-14-32(15-13-31)24(34)17-28-23(33)9-11-30-10-8-18-4-3-5-19-25(18)22(30)16-29-26(19)35/h1-7,22H,8-17H2,(H,28,33)(H,29,35)
InChIKeySIMOJUUGNCRQQM-UHFFFAOYSA-N
XLogP1.32
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)propanamide with MolForge

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Related Compounds

4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 26590726
2-(4-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 6460181
1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
CID 18106218
2-propanoyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one
CID 25143891
(3S)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 7660229
10-oxo-N-(2-phenylethyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide
CID 24772717
1-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pentane-1,5-dione
CID 3982950
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea
CID 42156451
benzyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]carbamate
CID 16748952
2,4-dichloro-N-[2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 41337381
2-(cyclopropylmethylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826997
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 1439137

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)propanamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)propanamide (CID 71606885) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)propanamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)propanamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)propanamide is O=C(CCN1CCc2cccc3c2C1CNC3=O)NCC(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)propanamide?
The InChIKey is SIMOJUUGNCRQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O3/c27-20-6-1-2-7-21(20)31-12-14-32(15-13-31)24(34)17-28-23(33)9-11-30-10-8-18-4-3-5-19-25(18)22(30)16-29-26(19)35/h1-7,22H,8-17H2,(H,28,33)(H,29,35).
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)propanamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)propanamide has a molecular weight of 479.56 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)propanamide is sourced from PubChem (CID 71606885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).