9-[4-[4-[(2-cyclohexylacetyl)amino]piperidin-1-yl]butyl]-N-[2,2,2-tris(phosphanyl)ethyl]fluorene-9-carboxamide

C33H48N3O2P3 — CID 163532707

IUPAC9-[4-[4-[(2-cyclohexylacetyl)amino]piperidin-1-yl]butyl]-N-[2,2,2-tris(phosphanyl)ethyl]fluorene-9-carboxamide
SMILESO=C(CC1CCCCC1)NC1CCN(CCCCC2(C(=O)NCC(P)(P)P)c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C33H48N3O2P3/c37-30(22-24-10-2-1-3-11-24)35-25-16-20-36(21-17-25)19-9-8-18-32(31(38)34-23-33(39,40)41)28-14-6-4-12-26(28)27-13-5-7-15-29(27)32/h4-7,12-15,24-25H,1-3,8-11,16-23,39-41H2,(H,34,38)(H,35,37)
InChIKeyDUIWUQQLLUJAKY-UHFFFAOYSA-N
MW611.69 g/mol
LogP6.07
Rot. Bonds11

About 9-[4-[4-[(2-cyclohexylacetyl)amino]piperidin-1-yl]butyl]-N-[2,2,2-tris(phosphanyl)ethyl]fluorene-9-carboxamide

9-[4-[4-[(2-cyclohexylacetyl)amino]piperidin-1-yl]butyl]-N-[2,2,2-tris(phosphanyl)ethyl]fluorene-9-carboxamide (PubChem CID 163532707) has the molecular formula C33H48N3O2P3 and a molecular weight of 611.69 g/mol. Its IUPAC name is 9-[4-[4-[(2-cyclohexylacetyl)amino]piperidin-1-yl]butyl]-N-[2,2,2-tris(phosphanyl)ethyl]fluorene-9-carboxamide.

Molecular Properties

Compound Name9-[4-[4-[(2-cyclohexylacetyl)amino]piperidin-1-yl]butyl]-N-[2,2,2-tris(phosphanyl)ethyl]fluorene-9-carboxamide
PubChem CID163532707
Molecular FormulaC33H48N3O2P3
Molecular Weight611.69 g/mol
Exact Mass611.30
IUPAC Name9-[4-[4-[(2-cyclohexylacetyl)amino]piperidin-1-yl]butyl]-N-[2,2,2-tris(phosphanyl)ethyl]fluorene-9-carboxamide
SMILESO=C(CC1CCCCC1)NC1CCN(CCCCC2(C(=O)NCC(P)(P)P)c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C33H48N3O2P3/c37-30(22-24-10-2-1-3-11-24)35-25-16-20-36(21-17-25)19-9-8-18-32(31(38)34-23-33(39,40)41)28-14-6-4-12-26(28)27-13-5-7-15-29(27)32/h4-7,12-15,24-25H,1-3,8-11,16-23,39-41H2,(H,34,38)(H,35,37)
InChIKeyDUIWUQQLLUJAKY-UHFFFAOYSA-N
XLogP6.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.69
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-[4-[4-(3-phenylpropanoylamino)piperidin-1-yl]butyl]-N-[2,2,2-tris(phosphanyl)ethyl]fluorene-9-carboxamide
CID 147630946
9-[4-[4-(pentanoylamino)piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 54156865
9-[4-[4-[(2-hydroxybenzoyl)amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 162576696
9-[4-[4-(2-cyclohexylacetyl)piperazin-1-yl]butyl]fluorene-9-carboxylic acid
CID 174461621
9-[4-[4-[(2-anilinobenzoyl)amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 54531955
9-[4-[4-[(6-phenylcyclohexene-1-carbonyl)amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 19705166
4-phenyl-N-[1-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidin-4-yl]pyridine-2-carboxamide
CID 19705141
N-(2,2,2-trifluoroethyl)-9-[4-[4-[[4-(trifluoromethyl)benzoyl]amino]piperidin-1-yl]butyl]-1,2,3,4-tetrahydrofluorene-9-carboxamide
CID 162576642
9-[4-[4-[[5-chloro-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 19705176
9-[4-[4-(4-aminophenyl)piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;hydrochloride
CID 22640107
4-phenyl-N-[3-[4-[9-[2,2,2-tris(phosphanyl)ethylcarbamoyl]fluoren-9-yl]butyl]cyclopentyl]-1,3-oxazole-5-carboxamide
CID 148726888
9-[4-[4-[[(2R)-2-phenylcyclohexanecarbonyl]amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)-1,2-dihydrofluorene-9-carboxamide
CID 163583130

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[(2-cyclohexylacetyl)amino]piperidin-1-yl]butyl]-N-[2,2,2-tris(phosphanyl)ethyl]fluorene-9-carboxamide?
The IUPAC name of 9-[4-[4-[(2-cyclohexylacetyl)amino]piperidin-1-yl]butyl]-N-[2,2,2-tris(phosphanyl)ethyl]fluorene-9-carboxamide (CID 163532707) is 9-[4-[4-[(2-cyclohexylacetyl)amino]piperidin-1-yl]butyl]-N-[2,2,2-tris(phosphanyl)ethyl]fluorene-9-carboxamide.
What is the SMILES notation for 9-[4-[4-[(2-cyclohexylacetyl)amino]piperidin-1-yl]butyl]-N-[2,2,2-tris(phosphanyl)ethyl]fluorene-9-carboxamide?
The canonical SMILES for 9-[4-[4-[(2-cyclohexylacetyl)amino]piperidin-1-yl]butyl]-N-[2,2,2-tris(phosphanyl)ethyl]fluorene-9-carboxamide is O=C(CC1CCCCC1)NC1CCN(CCCCC2(C(=O)NCC(P)(P)P)c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 9-[4-[4-[(2-cyclohexylacetyl)amino]piperidin-1-yl]butyl]-N-[2,2,2-tris(phosphanyl)ethyl]fluorene-9-carboxamide?
The InChIKey is DUIWUQQLLUJAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48N3O2P3/c37-30(22-24-10-2-1-3-11-24)35-25-16-20-36(21-17-25)19-9-8-18-32(31(38)34-23-33(39,40)41)28-14-6-4-12-26(28)27-13-5-7-15-29(27)32/h4-7,12-15,24-25H,1-3,8-11,16-23,39-41H2,(H,34,38)(H,35,37).
What are the key properties of 9-[4-[4-[(2-cyclohexylacetyl)amino]piperidin-1-yl]butyl]-N-[2,2,2-tris(phosphanyl)ethyl]fluorene-9-carboxamide?
9-[4-[4-[(2-cyclohexylacetyl)amino]piperidin-1-yl]butyl]-N-[2,2,2-tris(phosphanyl)ethyl]fluorene-9-carboxamide has a molecular weight of 611.69 g/mol, XLogP of 6.07, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[(2-cyclohexylacetyl)amino]piperidin-1-yl]butyl]-N-[2,2,2-tris(phosphanyl)ethyl]fluorene-9-carboxamide is sourced from PubChem (CID 163532707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).