2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-(4-phenylimidazolidin-1-yl)carbamate

C24H29FN4O3 — CID 57152689

IUPAC2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-(4-phenylimidazolidin-1-yl)carbamate
SMILESO=C(NN1CNC(c2ccccc2)C1)OCCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H29FN4O3/c25-21-8-6-19(7-9-21)23(30)20-10-12-28(13-11-20)14-15-32-24(31)27-29-16-22(26-17-29)18-4-2-1-3-5-18/h1-9,20,22,26H,10-17H2,(H,27,31)
InChIKeyNAMZHHUQDOZNAI-UHFFFAOYSA-N
MW440.52 g/mol
LogP2.97
Rot. Bonds7

About 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-(4-phenylimidazolidin-1-yl)carbamate

2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-(4-phenylimidazolidin-1-yl)carbamate (PubChem CID 57152689) has the molecular formula C24H29FN4O3 and a molecular weight of 440.52 g/mol. Its IUPAC name is 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-(4-phenylimidazolidin-1-yl)carbamate.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-(4-phenylimidazolidin-1-yl)carbamate
PubChem CID57152689
Molecular FormulaC24H29FN4O3
Molecular Weight440.52 g/mol
Exact Mass440.22
IUPAC Name2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-(4-phenylimidazolidin-1-yl)carbamate
SMILESO=C(NN1CNC(c2ccccc2)C1)OCCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H29FN4O3/c25-21-8-6-19(7-9-21)23(30)20-10-12-28(13-11-20)14-15-32-24(31)27-29-16-22(26-17-29)18-4-2-1-3-5-18/h1-9,20,22,26H,10-17H2,(H,27,31)
InChIKeyNAMZHHUQDOZNAI-UHFFFAOYSA-N
XLogP2.97
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-(1,2-benzoxazol-7-yl)carbamate
CID 54509594
2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-(2,3-dihydro-1H-indol-4-yl)carbamate
CID 54312444
2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-6-ylcarbamate
CID 54121890
(4-fluorophenyl)-[1-[3-(methylamino)-3-phenylpropyl]piperidin-4-yl]methanone
CID 23541367
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
but-2-enedioic acid;(4-fluorophenyl)-[1-[2-[[2-(4-fluorophenyl)phenyl]methoxy]ethyl]piperidin-4-yl]methanone
CID 67946891
(4-fluorophenyl)-[1-[2-(2-methoxyanilino)ethyl]piperidin-4-yl]methanone
CID 19690037
5-O-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl] 3-O-methyl 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 70474990
(4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone
CID 57279931
(4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanone
CID 11016205
[1-(2-aminoethyl)piperidin-4-yl]-phenylmethanone
CID 91529814

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-(4-phenylimidazolidin-1-yl)carbamate?
The IUPAC name of 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-(4-phenylimidazolidin-1-yl)carbamate (CID 57152689) is 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-(4-phenylimidazolidin-1-yl)carbamate.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-(4-phenylimidazolidin-1-yl)carbamate?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-(4-phenylimidazolidin-1-yl)carbamate is O=C(NN1CNC(c2ccccc2)C1)OCCN1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-(4-phenylimidazolidin-1-yl)carbamate?
The InChIKey is NAMZHHUQDOZNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3/c25-21-8-6-19(7-9-21)23(30)20-10-12-28(13-11-20)14-15-32-24(31)27-29-16-22(26-17-29)18-4-2-1-3-5-18/h1-9,20,22,26H,10-17H2,(H,27,31).
What are the key properties of 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-(4-phenylimidazolidin-1-yl)carbamate?
2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-(4-phenylimidazolidin-1-yl)carbamate has a molecular weight of 440.52 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-(4-phenylimidazolidin-1-yl)carbamate is sourced from PubChem (CID 57152689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).