9-oxo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]fluorene-4-carboxamide

C28H26N4O3 — CID 25105705

IUPAC9-oxo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]fluorene-4-carboxamide
SMILESO=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cccc2c1-c1ccccc1C2=O
InChIInChI=1S/C28H26N4O3/c33-26-20-7-2-1-6-19(20)25-21(26)8-5-9-22(25)27(34)29-14-17-31-15-12-18(13-16-31)32-24-11-4-3-10-23(24)30-28(32)35/h1-11,18H,12-17H2,(H,29,34)(H,30,35)
InChIKeyINMSGESUKZJUQI-UHFFFAOYSA-N
MW466.54 g/mol
LogP3.61
Rot. Bonds5

About 9-oxo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]fluorene-4-carboxamide

9-oxo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]fluorene-4-carboxamide (PubChem CID 25105705) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is 9-oxo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]fluorene-4-carboxamide.

Molecular Properties

Compound Name9-oxo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]fluorene-4-carboxamide
PubChem CID25105705
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC Name9-oxo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]fluorene-4-carboxamide
SMILESO=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cccc2c1-c1ccccc1C2=O
InChIInChI=1S/C28H26N4O3/c33-26-20-7-2-1-6-19(20)25-21(26)8-5-9-22(25)27(34)29-14-17-31-15-12-18(13-16-31)32-24-11-4-3-10-23(24)30-28(32)35/h1-11,18H,12-17H2,(H,29,34)(H,30,35)
InChIKeyINMSGESUKZJUQI-UHFFFAOYSA-N
XLogP3.61
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Benperidol
CID 16363
N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-2-naphthamide
CID 25105704
CID 53481919
CID 53481919
3-2,3-dihydro-1H-inden-5-yl-1-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329897
3,4-Difluoro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 25105698
4-Methyl-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 25105701
N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-4-vinylbenzamide
CID 25105702
4-Fluoro-N-(4-fluorobenzoyl)-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 25105711
2-[4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin-1-yl]-N-(9-oxo-9H-fluoren-3-yl)-acetamide
CID 9868487
2-{4-[4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin-1-yl]-butyl}-isoindole-1,3-dione
CID 18187410
4-fluoro-N-{(2S)-1-[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl}benzamide
CID 145704745
1-phenyl-3-[[(2S)-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]urea
CID 56673798

Frequently Asked Questions

What is the IUPAC name of 9-oxo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]fluorene-4-carboxamide?
The IUPAC name of 9-oxo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]fluorene-4-carboxamide (CID 25105705) is 9-oxo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]fluorene-4-carboxamide.
What is the SMILES notation for 9-oxo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]fluorene-4-carboxamide?
The canonical SMILES for 9-oxo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]fluorene-4-carboxamide is O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cccc2c1-c1ccccc1C2=O.
What is the InChIKey of 9-oxo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]fluorene-4-carboxamide?
The InChIKey is INMSGESUKZJUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c33-26-20-7-2-1-6-19(20)25-21(26)8-5-9-22(25)27(34)29-14-17-31-15-12-18(13-16-31)32-24-11-4-3-10-23(24)30-28(32)35/h1-11,18H,12-17H2,(H,29,34)(H,30,35).
What are the key properties of 9-oxo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]fluorene-4-carboxamide?
9-oxo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]fluorene-4-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]fluorene-4-carboxamide is sourced from PubChem (CID 25105705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).