2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide

C24H22F3N3O2 — CID 46567891

IUPAC2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(F)c(F)c1F)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C24H22F3N3O2/c1-15(23(31)28-20-10-9-19(25)21(26)22(20)27)29-11-13-30(14-12-29)24(32)18-8-4-6-16-5-2-3-7-17(16)18/h2-10,15H,11-14H2,1H3,(H,28,31)
InChIKeyCIYPZVBPNASHEB-UHFFFAOYSA-N
MW441.45 g/mol
LogP4.04
Rot. Bonds4

About 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide

2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 46567891) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID46567891
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC Name2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(F)c(F)c1F)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C24H22F3N3O2/c1-15(23(31)28-20-10-9-19(25)21(26)22(20)27)29-11-13-30(14-12-29)24(32)18-8-4-6-16-5-2-3-7-17(16)18/h2-10,15H,11-14H2,1H3,(H,28,31)
InChIKeyCIYPZVBPNASHEB-UHFFFAOYSA-N
XLogP4.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(azocan-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 2655376
(2S)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 8774110
(2S)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide
CID 94762816
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 2655636
(2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 8023118
2-(4-methylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 18078449
(2R)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 9258412
(2S)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 9259545
2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 46571611
(2S)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 9130375
N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide
CID 51329108
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 16599163

Frequently Asked Questions

What is the IUPAC name of 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide (CID 46567891) is 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide is CC(C(=O)Nc1ccc(F)c(F)c1F)N1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is CIYPZVBPNASHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c1-15(23(31)28-20-10-9-19(25)21(26)22(20)27)29-11-13-30(14-12-29)24(32)18-8-4-6-16-5-2-3-7-17(16)18/h2-10,15H,11-14H2,1H3,(H,28,31).
What are the key properties of 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide?
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 441.45 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 46567891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).