3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(2,3-dihydro-1H-indol-7-yl)carbamate

C24H28FN3O3 — CID 54110968

IUPAC3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(2,3-dihydro-1H-indol-7-yl)carbamate
SMILESO=C(Nc1cccc2c1NCC2)OCCCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H28FN3O3/c25-20-7-5-18(6-8-20)23(29)19-10-14-28(15-11-19)13-2-16-31-24(30)27-21-4-1-3-17-9-12-26-22(17)21/h1,3-8,19,26H,2,9-16H2,(H,27,30)
InChIKeyNHBCFOHSJCYWDD-UHFFFAOYSA-N
MW425.50 g/mol
LogP4.33
Rot. Bonds7

About 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(2,3-dihydro-1H-indol-7-yl)carbamate

3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(2,3-dihydro-1H-indol-7-yl)carbamate (PubChem CID 54110968) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(2,3-dihydro-1H-indol-7-yl)carbamate.

Molecular Properties

Compound Name3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(2,3-dihydro-1H-indol-7-yl)carbamate
PubChem CID54110968
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(2,3-dihydro-1H-indol-7-yl)carbamate
SMILESO=C(Nc1cccc2c1NCC2)OCCCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H28FN3O3/c25-20-7-5-18(6-8-20)23(29)19-10-14-28(15-11-19)13-2-16-31-24(30)27-21-4-1-3-17-9-12-26-22(17)21/h1,3-8,19,26H,2,9-16H2,(H,27,30)
InChIKeyNHBCFOHSJCYWDD-UHFFFAOYSA-N
XLogP4.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(2,3-dihydro-1H-indol-7-yl)carbamate?
The IUPAC name of 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(2,3-dihydro-1H-indol-7-yl)carbamate (CID 54110968) is 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(2,3-dihydro-1H-indol-7-yl)carbamate.
What is the SMILES notation for 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(2,3-dihydro-1H-indol-7-yl)carbamate?
The canonical SMILES for 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(2,3-dihydro-1H-indol-7-yl)carbamate is O=C(Nc1cccc2c1NCC2)OCCCN1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(2,3-dihydro-1H-indol-7-yl)carbamate?
The InChIKey is NHBCFOHSJCYWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c25-20-7-5-18(6-8-20)23(29)19-10-14-28(15-11-19)13-2-16-31-24(30)27-21-4-1-3-17-9-12-26-22(17)21/h1,3-8,19,26H,2,9-16H2,(H,27,30).
What are the key properties of 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(2,3-dihydro-1H-indol-7-yl)carbamate?
3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(2,3-dihydro-1H-indol-7-yl)carbamate has a molecular weight of 425.50 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(2,3-dihydro-1H-indol-7-yl)carbamate is sourced from PubChem (CID 54110968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).