N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide

C23H36FN3O3 — CID 86941219

IUPACN-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESCC(C)(C)C(COc1ccccc1F)NC(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C23H36FN3O3/c1-23(2,3)21(17-30-20-7-5-4-6-19(20)24)25-22(28)27-10-8-18(9-11-27)16-26-12-14-29-15-13-26/h4-7,18,21H,8-17H2,1-3H3,(H,25,28)
InChIKeyWLIJWOIXUWVKPJ-UHFFFAOYSA-N
MW421.56 g/mol
LogP3.37
Rot. Bonds6

About N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide

N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide (PubChem CID 86941219) has the molecular formula C23H36FN3O3 and a molecular weight of 421.56 g/mol. Its IUPAC name is N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
PubChem CID86941219
Molecular FormulaC23H36FN3O3
Molecular Weight421.56 g/mol
Exact Mass421.27
IUPAC NameN-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESCC(C)(C)C(COc1ccccc1F)NC(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C23H36FN3O3/c1-23(2,3)21(17-30-20-7-5-4-6-19(20)24)25-22(28)27-10-8-18(9-11-27)16-26-12-14-29-15-13-26/h4-7,18,21H,8-17H2,1-3H3,(H,25,28)
InChIKeyWLIJWOIXUWVKPJ-UHFFFAOYSA-N
XLogP3.37
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.56
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]thiomorpholine-4-carboxamide
CID 86941232
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
CID 86941234
1-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 86941191
N-butan-2-yl-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 110624587
2,2-dichloro-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
CID 86940721
N-(cyclopropylmethyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 55793748
1-(1,3-benzoxazol-2-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]piperidine-4-carboxamide
CID 86940628
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]pentanamide
CID 86940685
N-[(2R)-but-3-yn-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 124618478
methyl 4-chloro-2-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]benzoate
CID 20907513
3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylbutan-1-one
CID 110304853
1-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]ethanone
CID 53150747

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide (CID 86941219) is N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide is CC(C)(C)C(COc1ccccc1F)NC(=O)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The InChIKey is WLIJWOIXUWVKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36FN3O3/c1-23(2,3)21(17-30-20-7-5-4-6-19(20)24)25-22(28)27-10-8-18(9-11-27)16-26-12-14-29-15-13-26/h4-7,18,21H,8-17H2,1-3H3,(H,25,28).
What are the key properties of N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide has a molecular weight of 421.56 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 86941219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).