N-[3-(2-ethylimidazol-1-yl)propyl]-1-(6-fluoroquinolin-4-yl)piperidine-4-carboxamide

C23H28FN5O — CID 91952370

IUPACN-[3-(2-ethylimidazol-1-yl)propyl]-1-(6-fluoroquinolin-4-yl)piperidine-4-carboxamide
SMILESCCc1nccn1CCCNC(=O)C1CCN(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C23H28FN5O/c1-2-22-26-11-15-29(22)12-3-9-27-23(30)17-7-13-28(14-8-17)21-6-10-25-20-5-4-18(24)16-19(20)21/h4-6,10-11,15-17H,2-3,7-9,12-14H2,1H3,(H,27,30)
InChIKeyIODJTFWOSMDRKB-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.56
Rot. Bonds7

About N-[3-(2-ethylimidazol-1-yl)propyl]-1-(6-fluoroquinolin-4-yl)piperidine-4-carboxamide

N-[3-(2-ethylimidazol-1-yl)propyl]-1-(6-fluoroquinolin-4-yl)piperidine-4-carboxamide (PubChem CID 91952370) has the molecular formula C23H28FN5O and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[3-(2-ethylimidazol-1-yl)propyl]-1-(6-fluoroquinolin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethylimidazol-1-yl)propyl]-1-(6-fluoroquinolin-4-yl)piperidine-4-carboxamide
PubChem CID91952370
Molecular FormulaC23H28FN5O
Molecular Weight409.51 g/mol
Exact Mass409.23
IUPAC NameN-[3-(2-ethylimidazol-1-yl)propyl]-1-(6-fluoroquinolin-4-yl)piperidine-4-carboxamide
SMILESCCc1nccn1CCCNC(=O)C1CCN(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C23H28FN5O/c1-2-22-26-11-15-29(22)12-3-9-27-23(30)17-7-13-28(14-8-17)21-6-10-25-20-5-4-18(24)16-19(20)21/h4-6,10-11,15-17H,2-3,7-9,12-14H2,1H3,(H,27,30)
InChIKeyIODJTFWOSMDRKB-UHFFFAOYSA-N
XLogP3.56
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(6-fluoroquinolin-4-yl)-N-[3-(3-methylindazol-1-yl)propyl]piperidine-4-carboxamide
CID 91952366
1-(6-fluoroquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 91952377
N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-4-carboxamide
CID 91952334
1-(6-fluoroquinolin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 91952358
(3R)-N-[3-(2-ethylimidazol-1-yl)propyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 95199974
azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone
CID 91952386
1-(6-fluoroquinolin-4-yl)-N-[3-(4-methylindazol-1-yl)propyl]piperidine-3-carboxamide
CID 91952225
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl] butanoate
CID 175115794
2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid
CID 121318145
N-[2-(2-ethylimidazol-1-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 91777093
1-(cyclobutanecarbonyl)-N-[2-(2-ethylimidazol-1-yl)ethyl]piperidine-4-carboxamide
CID 72851366
4-[3-(2-ethylimidazol-1-yl)propylamino]-6-fluoroquinoline-3-carbonitrile
CID 91953565

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylimidazol-1-yl)propyl]-1-(6-fluoroquinolin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(2-ethylimidazol-1-yl)propyl]-1-(6-fluoroquinolin-4-yl)piperidine-4-carboxamide (CID 91952370) is N-[3-(2-ethylimidazol-1-yl)propyl]-1-(6-fluoroquinolin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(2-ethylimidazol-1-yl)propyl]-1-(6-fluoroquinolin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(2-ethylimidazol-1-yl)propyl]-1-(6-fluoroquinolin-4-yl)piperidine-4-carboxamide is CCc1nccn1CCCNC(=O)C1CCN(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of N-[3-(2-ethylimidazol-1-yl)propyl]-1-(6-fluoroquinolin-4-yl)piperidine-4-carboxamide?
The InChIKey is IODJTFWOSMDRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O/c1-2-22-26-11-15-29(22)12-3-9-27-23(30)17-7-13-28(14-8-17)21-6-10-25-20-5-4-18(24)16-19(20)21/h4-6,10-11,15-17H,2-3,7-9,12-14H2,1H3,(H,27,30).
What are the key properties of N-[3-(2-ethylimidazol-1-yl)propyl]-1-(6-fluoroquinolin-4-yl)piperidine-4-carboxamide?
N-[3-(2-ethylimidazol-1-yl)propyl]-1-(6-fluoroquinolin-4-yl)piperidine-4-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylimidazol-1-yl)propyl]-1-(6-fluoroquinolin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 91952370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).