2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-6-ylcarbamate

C24H24FN3O3 — CID 54121890

IUPAC2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-6-ylcarbamate
SMILESO=C(Nc1ccc2ncccc2c1)OCCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H24FN3O3/c25-20-5-3-17(4-6-20)23(29)18-9-12-28(13-10-18)14-15-31-24(30)27-21-7-8-22-19(16-21)2-1-11-26-22/h1-8,11,16,18H,9-10,12-15H2,(H,27,30)
InChIKeyNOHHPIMMCPWFSX-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.52
Rot. Bonds6

About 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-6-ylcarbamate

2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-6-ylcarbamate (PubChem CID 54121890) 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-6-ylcarbamate.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-6-ylcarbamate
PubChem CID54121890
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-6-ylcarbamate
SMILESO=C(Nc1ccc2ncccc2c1)OCCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H24FN3O3/c25-20-5-3-17(4-6-20)23(29)18-9-12-28(13-10-18)14-15-31-24(30)27-21-7-8-22-19(16-21)2-1-11-26-22/h1-8,11,16,18H,9-10,12-15H2,(H,27,30)
InChIKeyNOHHPIMMCPWFSX-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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Related Compounds

2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-(1,2-benzothiazol-5-yl)carbamate
CID 54554945
3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1,3-benzoxazol-6-yl)carbamate
CID 54027243
3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1H-indol-5-yl)carbamate
CID 54082392
2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-(1,2-benzoxazol-7-yl)carbamate
CID 54509594
2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1H-indol-5-yl)carbamate
CID 54032136
2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-(2,3-dihydro-1H-indol-4-yl)carbamate
CID 54312444
2-[4-(4-iodobenzoyl)piperidin-1-yl]ethyl N-(1,2-benzothiazol-5-yl)carbamate
CID 54324228
2-[4-(4-iodobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate
CID 54072288
2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-(4-phenylimidazolidin-1-yl)carbamate
CID 57152689
3-[4-(4-chlorobenzoyl)piperidin-1-yl]propyl N-(1,3-benzoxazol-6-yl)carbamate
CID 54454136
(4-fluorophenyl)-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]methanone;dihydrochloride
CID 14882741
2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-quinolin-6-ylacetamide
CID 46980899

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-6-ylcarbamate?
The IUPAC name of 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-6-ylcarbamate (CID 54121890) is 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-6-ylcarbamate.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-6-ylcarbamate?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-6-ylcarbamate is O=C(Nc1ccc2ncccc2c1)OCCN1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-6-ylcarbamate?
The InChIKey is NOHHPIMMCPWFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c25-20-5-3-17(4-6-20)23(29)18-9-12-28(13-10-18)14-15-31-24(30)27-21-7-8-22-19(16-21)2-1-11-26-22/h1-8,11,16,18H,9-10,12-15H2,(H,27,30).
What are the key properties of 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-6-ylcarbamate?
2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-6-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-6-ylcarbamate is sourced from PubChem (CID 54121890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).