2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-7-ylcarbamate

C24H24FN3O3 — CID 54016238

IUPAC2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-7-ylcarbamate
SMILESO=C(Nc1ccc2cccnc2c1)OCCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H24FN3O3/c25-20-6-3-18(4-7-20)23(29)19-9-12-28(13-10-19)14-15-31-24(30)27-21-8-5-17-2-1-11-26-22(17)16-21/h1-8,11,16,19H,9-10,12-15H2,(H,27,30)
InChIKeyKVVFAIFCPOSORD-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.52
Rot. Bonds6

About 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-7-ylcarbamate

2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-7-ylcarbamate (PubChem CID 54016238) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-7-ylcarbamate.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-7-ylcarbamate
PubChem CID54016238
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-7-ylcarbamate
SMILESO=C(Nc1ccc2cccnc2c1)OCCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H24FN3O3/c25-20-6-3-18(4-7-20)23(29)19-9-12-28(13-10-19)14-15-31-24(30)27-21-8-5-17-2-1-11-26-22(17)16-21/h1-8,11,16,19H,9-10,12-15H2,(H,27,30)
InChIKeyKVVFAIFCPOSORD-UHFFFAOYSA-N
XLogP4.52
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-7-ylcarbamate?
The IUPAC name of 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-7-ylcarbamate (CID 54016238) is 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-7-ylcarbamate.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-7-ylcarbamate?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-7-ylcarbamate is O=C(Nc1ccc2cccnc2c1)OCCN1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-7-ylcarbamate?
The InChIKey is KVVFAIFCPOSORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c25-20-6-3-18(4-7-20)23(29)19-9-12-28(13-10-19)14-15-31-24(30)27-21-8-5-17-2-1-11-26-22(17)16-21/h1-8,11,16,19H,9-10,12-15H2,(H,27,30).
What are the key properties of 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-7-ylcarbamate?
2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-7-ylcarbamate has a molecular weight of 421.47 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-7-ylcarbamate is sourced from PubChem (CID 54016238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).