N-[1-[4-[9-(4-ethyl-5-methyl-1H-imidazol-2-yl)fluoren-9-yl]butyl]piperidin-4-yl]benzamide

C35H40N4O — CID 57223620

IUPACN-[1-[4-[9-(4-ethyl-5-methyl-1H-imidazol-2-yl)fluoren-9-yl]butyl]piperidin-4-yl]benzamide
SMILESCCc1nc(C2(CCCCN3CCC(NC(=O)c4ccccc4)CC3)c3ccccc3-c3ccccc32)[nH]c1C
InChIInChI=1S/C35H40N4O/c1-3-32-25(2)36-34(38-32)35(30-17-9-7-15-28(30)29-16-8-10-18-31(29)35)21-11-12-22-39-23-19-27(20-24-39)37-33(40)26-13-5-4-6-14-26/h4-10,13-18,27H,3,11-12,19-24H2,1-2H3,(H,36,38)(H,37,40)
InChIKeyRSBKXCZSDPQYLH-UHFFFAOYSA-N
MW532.73 g/mol
LogP6.66
Rot. Bonds9

About N-[1-[4-[9-(4-ethyl-5-methyl-1H-imidazol-2-yl)fluoren-9-yl]butyl]piperidin-4-yl]benzamide

N-[1-[4-[9-(4-ethyl-5-methyl-1H-imidazol-2-yl)fluoren-9-yl]butyl]piperidin-4-yl]benzamide (PubChem CID 57223620) has the molecular formula C35H40N4O and a molecular weight of 532.73 g/mol. Its IUPAC name is N-[1-[4-[9-(4-ethyl-5-methyl-1H-imidazol-2-yl)fluoren-9-yl]butyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[4-[9-(4-ethyl-5-methyl-1H-imidazol-2-yl)fluoren-9-yl]butyl]piperidin-4-yl]benzamide
PubChem CID57223620
Molecular FormulaC35H40N4O
Molecular Weight532.73 g/mol
Exact Mass532.32
IUPAC NameN-[1-[4-[9-(4-ethyl-5-methyl-1H-imidazol-2-yl)fluoren-9-yl]butyl]piperidin-4-yl]benzamide
SMILESCCc1nc(C2(CCCCN3CCC(NC(=O)c4ccccc4)CC3)c3ccccc3-c3ccccc32)[nH]c1C
InChIInChI=1S/C35H40N4O/c1-3-32-25(2)36-34(38-32)35(30-17-9-7-15-28(30)29-16-8-10-18-31(29)35)21-11-12-22-39-23-19-27(20-24-39)37-33(40)26-13-5-4-6-14-26/h4-10,13-18,27H,3,11-12,19-24H2,1-2H3,(H,36,38)(H,37,40)
InChIKeyRSBKXCZSDPQYLH-UHFFFAOYSA-N
XLogP6.66
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.73
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-[4-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 54147603
acetic acid;N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]benzamide
CID 70545034
N-[1-(4-anilino-4-oxobutyl)piperidin-4-yl]benzamide
CID 57114875
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
N-[1-(4-amino-4-oxobutyl)piperidin-4-yl]benzamide;methyl 4-(4-benzamidopiperidin-1-yl)butanoate
CID 21434692
N-[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-yl]benzamide
CID 21413261
N-[1-[2-(3H-inden-1-yl)ethyl]piperidin-4-yl]benzamide
CID 21430607
4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide
CID 34799426
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
3-[[1-(2-methylsulfanylethyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 74234190
N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzamide
CID 33103457
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[9-(4-ethyl-5-methyl-1H-imidazol-2-yl)fluoren-9-yl]butyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[4-[9-(4-ethyl-5-methyl-1H-imidazol-2-yl)fluoren-9-yl]butyl]piperidin-4-yl]benzamide (CID 57223620) is N-[1-[4-[9-(4-ethyl-5-methyl-1H-imidazol-2-yl)fluoren-9-yl]butyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[4-[9-(4-ethyl-5-methyl-1H-imidazol-2-yl)fluoren-9-yl]butyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[4-[9-(4-ethyl-5-methyl-1H-imidazol-2-yl)fluoren-9-yl]butyl]piperidin-4-yl]benzamide is CCc1nc(C2(CCCCN3CCC(NC(=O)c4ccccc4)CC3)c3ccccc3-c3ccccc32)[nH]c1C.
What is the InChIKey of N-[1-[4-[9-(4-ethyl-5-methyl-1H-imidazol-2-yl)fluoren-9-yl]butyl]piperidin-4-yl]benzamide?
The InChIKey is RSBKXCZSDPQYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N4O/c1-3-32-25(2)36-34(38-32)35(30-17-9-7-15-28(30)29-16-8-10-18-31(29)35)21-11-12-22-39-23-19-27(20-24-39)37-33(40)26-13-5-4-6-14-26/h4-10,13-18,27H,3,11-12,19-24H2,1-2H3,(H,36,38)(H,37,40).
What are the key properties of N-[1-[4-[9-(4-ethyl-5-methyl-1H-imidazol-2-yl)fluoren-9-yl]butyl]piperidin-4-yl]benzamide?
N-[1-[4-[9-(4-ethyl-5-methyl-1H-imidazol-2-yl)fluoren-9-yl]butyl]piperidin-4-yl]benzamide has a molecular weight of 532.73 g/mol, XLogP of 6.66, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[9-(4-ethyl-5-methyl-1H-imidazol-2-yl)fluoren-9-yl]butyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 57223620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).