N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-3-(2-phosphanylphenyl)propanamide

C27H35FN3O2P — CID 130450779

IUPACN-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-3-(2-phosphanylphenyl)propanamide
SMILESCc1c(CN2CCN(C(=O)C3CCCC3)CC2)cc(F)cc1NC(=O)CCc1ccccc1P
InChIInChI=1S/C27H35FN3O2P/c1-19-22(18-30-12-14-31(15-13-30)27(33)21-7-2-3-8-21)16-23(28)17-24(19)29-26(32)11-10-20-6-4-5-9-25(20)34/h4-6,9,16-17,21H,2-3,7-8,10-15,18,34H2,1H3,(H,29,32)
InChIKeyAYZJGQJSLBNHQQ-UHFFFAOYSA-N
MW483.57 g/mol
LogP4.04
Rot. Bonds7

About N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-3-(2-phosphanylphenyl)propanamide

N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-3-(2-phosphanylphenyl)propanamide (PubChem CID 130450779) has the molecular formula C27H35FN3O2P and a molecular weight of 483.57 g/mol. Its IUPAC name is N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-3-(2-phosphanylphenyl)propanamide.

Molecular Properties

Compound NameN-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-3-(2-phosphanylphenyl)propanamide
PubChem CID130450779
Molecular FormulaC27H35FN3O2P
Molecular Weight483.57 g/mol
Exact Mass483.25
IUPAC NameN-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-3-(2-phosphanylphenyl)propanamide
SMILESCc1c(CN2CCN(C(=O)C3CCCC3)CC2)cc(F)cc1NC(=O)CCc1ccccc1P
InChIInChI=1S/C27H35FN3O2P/c1-19-22(18-30-12-14-31(15-13-30)27(33)21-7-2-3-8-21)16-23(28)17-24(19)29-26(32)11-10-20-6-4-5-9-25(20)34/h4-6,9,16-17,21H,2-3,7-8,10-15,18,34H2,1H3,(H,29,32)
InChIKeyAYZJGQJSLBNHQQ-UHFFFAOYSA-N
XLogP4.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]benzamide
CID 130451217
N-[3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-3-(3-fluorophenyl)propanamide
CID 118452353
3-cyano-N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-4-fluorobenzamide
CID 126712151
cyclopentyl-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 23910095
3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 36881302
cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 113074078
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
N-[3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 118452299
N-[3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]cyclohexanecarboxamide
CID 90204560
N-[3-[[4-(1-cyclopentylethenyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-4-fluoro-2-methylbenzamide
CID 126712054
N-[3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-2,6-dimethylbenzamide
CID 90204764
3-chloro-N-[3-[[4-(1-cyclopentylethenyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]benzamide
CID 126712041

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-3-(2-phosphanylphenyl)propanamide?
The IUPAC name of N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-3-(2-phosphanylphenyl)propanamide (CID 130450779) is N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-3-(2-phosphanylphenyl)propanamide.
What is the SMILES notation for N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-3-(2-phosphanylphenyl)propanamide?
The canonical SMILES for N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-3-(2-phosphanylphenyl)propanamide is Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cc(F)cc1NC(=O)CCc1ccccc1P.
What is the InChIKey of N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-3-(2-phosphanylphenyl)propanamide?
The InChIKey is AYZJGQJSLBNHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN3O2P/c1-19-22(18-30-12-14-31(15-13-30)27(33)21-7-2-3-8-21)16-23(28)17-24(19)29-26(32)11-10-20-6-4-5-9-25(20)34/h4-6,9,16-17,21H,2-3,7-8,10-15,18,34H2,1H3,(H,29,32).
What are the key properties of N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-3-(2-phosphanylphenyl)propanamide?
N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-3-(2-phosphanylphenyl)propanamide has a molecular weight of 483.57 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-3-(2-phosphanylphenyl)propanamide is sourced from PubChem (CID 130450779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).