N-[3-[4-(3-tert-butyl-4-fluorophenyl)piperidine-1-carbonyl]cyclobutyl]propanamide

C23H33FN2O2 — CID 156864422

IUPACN-[3-[4-(3-tert-butyl-4-fluorophenyl)piperidine-1-carbonyl]cyclobutyl]propanamide
SMILESCCC(=O)NC1CC(C(=O)N2CCC(c3ccc(F)c(C(C)(C)C)c3)CC2)C1
InChIInChI=1S/C23H33FN2O2/c1-5-21(27)25-18-12-17(13-18)22(28)26-10-8-15(9-11-26)16-6-7-20(24)19(14-16)23(2,3)4/h6-7,14-15,17-18H,5,8-13H2,1-4H3,(H,25,27)
InChIKeyJSGVKGGAXJAZKF-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.13
Rot. Bonds4

About N-[3-[4-(3-tert-butyl-4-fluorophenyl)piperidine-1-carbonyl]cyclobutyl]propanamide

N-[3-[4-(3-tert-butyl-4-fluorophenyl)piperidine-1-carbonyl]cyclobutyl]propanamide (PubChem CID 156864422) has the molecular formula C23H33FN2O2 and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[3-[4-(3-tert-butyl-4-fluorophenyl)piperidine-1-carbonyl]cyclobutyl]propanamide.

Molecular Properties

Compound NameN-[3-[4-(3-tert-butyl-4-fluorophenyl)piperidine-1-carbonyl]cyclobutyl]propanamide
PubChem CID156864422
Molecular FormulaC23H33FN2O2
Molecular Weight388.53 g/mol
Exact Mass388.25
IUPAC NameN-[3-[4-(3-tert-butyl-4-fluorophenyl)piperidine-1-carbonyl]cyclobutyl]propanamide
SMILESCCC(=O)NC1CC(C(=O)N2CCC(c3ccc(F)c(C(C)(C)C)c3)CC2)C1
InChIInChI=1S/C23H33FN2O2/c1-5-21(27)25-18-12-17(13-18)22(28)26-10-8-15(9-11-26)16-6-7-20(24)19(14-16)23(2,3)4/h6-7,14-15,17-18H,5,8-13H2,1-4H3,(H,25,27)
InChIKeyJSGVKGGAXJAZKF-UHFFFAOYSA-N
XLogP4.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butylbenzene;N-[3-(3-methylpyrrolidine-1-carbonyl)cyclobutyl]propanamide
CID 167469749
methyl N-[3-[4-(3-tert-butylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate
CID 156864304
methyl 5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzoate
CID 176580481
methyl N-[3-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidine-1-carbonyl]cyclobutyl]carbamate
CID 156864271
methyl N-[3-[[3-(3-tert-butyl-4-fluorophenyl)cyclobutyl]-methylcarbamoyl]cyclobutyl]carbamate
CID 156864693
methyl N-[3-[4-(4-propan-2-ylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate
CID 156864343
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanamide
CID 110871450
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide
CID 108562134
cyclopropyl-[4-[(3,4-difluorophenyl)methylamino]piperidin-1-yl]methanone
CID 43434746
1-[4-[1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 42866451
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]propanamide
CID 108556090
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110821572

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-tert-butyl-4-fluorophenyl)piperidine-1-carbonyl]cyclobutyl]propanamide?
The IUPAC name of N-[3-[4-(3-tert-butyl-4-fluorophenyl)piperidine-1-carbonyl]cyclobutyl]propanamide (CID 156864422) is N-[3-[4-(3-tert-butyl-4-fluorophenyl)piperidine-1-carbonyl]cyclobutyl]propanamide.
What is the SMILES notation for N-[3-[4-(3-tert-butyl-4-fluorophenyl)piperidine-1-carbonyl]cyclobutyl]propanamide?
The canonical SMILES for N-[3-[4-(3-tert-butyl-4-fluorophenyl)piperidine-1-carbonyl]cyclobutyl]propanamide is CCC(=O)NC1CC(C(=O)N2CCC(c3ccc(F)c(C(C)(C)C)c3)CC2)C1.
What is the InChIKey of N-[3-[4-(3-tert-butyl-4-fluorophenyl)piperidine-1-carbonyl]cyclobutyl]propanamide?
The InChIKey is JSGVKGGAXJAZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN2O2/c1-5-21(27)25-18-12-17(13-18)22(28)26-10-8-15(9-11-26)16-6-7-20(24)19(14-16)23(2,3)4/h6-7,14-15,17-18H,5,8-13H2,1-4H3,(H,25,27).
What are the key properties of N-[3-[4-(3-tert-butyl-4-fluorophenyl)piperidine-1-carbonyl]cyclobutyl]propanamide?
N-[3-[4-(3-tert-butyl-4-fluorophenyl)piperidine-1-carbonyl]cyclobutyl]propanamide has a molecular weight of 388.53 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-tert-butyl-4-fluorophenyl)piperidine-1-carbonyl]cyclobutyl]propanamide is sourced from PubChem (CID 156864422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).