N-(9H-fluoren-9-yl)-4-[2-oxo-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carboxamide

C34H39N5O2 — CID 20605929

IUPACN-(9H-fluoren-9-yl)-4-[2-oxo-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carboxamide
SMILESO=C(NC1c2ccccc2-c2ccccc21)N1CCC(n2c(=O)n(CCCN3CCCCC3)c3ccccc32)CC1
InChIInChI=1S/C34H39N5O2/c40-33(35-32-28-13-4-2-11-26(28)27-12-3-5-14-29(27)32)37-23-17-25(18-24-37)39-31-16-7-6-15-30(31)38(34(39)41)22-10-21-36-19-8-1-9-20-36/h2-7,11-16,25,32H,1,8-10,17-24H2,(H,35,40)
InChIKeyNEPWTMOLJOAXOE-UHFFFAOYSA-N
MW549.72 g/mol
LogP5.80
Rot. Bonds6

About N-(9H-fluoren-9-yl)-4-[2-oxo-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carboxamide

N-(9H-fluoren-9-yl)-4-[2-oxo-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carboxamide (PubChem CID 20605929) has the molecular formula C34H39N5O2 and a molecular weight of 549.72 g/mol. Its IUPAC name is N-(9H-fluoren-9-yl)-4-[2-oxo-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(9H-fluoren-9-yl)-4-[2-oxo-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carboxamide
PubChem CID20605929
Molecular FormulaC34H39N5O2
Molecular Weight549.72 g/mol
Exact Mass549.31
IUPAC NameN-(9H-fluoren-9-yl)-4-[2-oxo-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carboxamide
SMILESO=C(NC1c2ccccc2-c2ccccc21)N1CCC(n2c(=O)n(CCCN3CCCCC3)c3ccccc32)CC1
InChIInChI=1S/C34H39N5O2/c40-33(35-32-28-13-4-2-11-26(28)27-12-3-5-14-29(27)32)37-23-17-25(18-24-37)39-31-16-7-6-15-30(31)38(34(39)41)22-10-21-36-19-8-1-9-20-36/h2-7,11-16,25,32H,1,8-10,17-24H2,(H,35,40)
InChIKeyNEPWTMOLJOAXOE-UHFFFAOYSA-N
XLogP5.80
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.72
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-9-yl)-4-[2-oxo-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-(9H-fluoren-9-yl)-4-[2-oxo-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carboxamide (CID 20605929) is N-(9H-fluoren-9-yl)-4-[2-oxo-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(9H-fluoren-9-yl)-4-[2-oxo-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(9H-fluoren-9-yl)-4-[2-oxo-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carboxamide is O=C(NC1c2ccccc2-c2ccccc21)N1CCC(n2c(=O)n(CCCN3CCCCC3)c3ccccc32)CC1.
What is the InChIKey of N-(9H-fluoren-9-yl)-4-[2-oxo-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carboxamide?
The InChIKey is NEPWTMOLJOAXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N5O2/c40-33(35-32-28-13-4-2-11-26(28)27-12-3-5-14-29(27)32)37-23-17-25(18-24-37)39-31-16-7-6-15-30(31)38(34(39)41)22-10-21-36-19-8-1-9-20-36/h2-7,11-16,25,32H,1,8-10,17-24H2,(H,35,40).
What are the key properties of N-(9H-fluoren-9-yl)-4-[2-oxo-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carboxamide?
N-(9H-fluoren-9-yl)-4-[2-oxo-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carboxamide has a molecular weight of 549.72 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-9-yl)-4-[2-oxo-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 20605929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).