2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide

C24H36FN3O2 — CID 55468968

IUPAC2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
SMILESCC(C)C(NC(=O)CN1CCC(C(=O)N2CCCCCC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H36FN3O2/c1-18(2)23(19-7-9-21(25)10-8-19)26-22(29)17-27-15-11-20(12-16-27)24(30)28-13-5-3-4-6-14-28/h7-10,18,20,23H,3-6,11-17H2,1-2H3,(H,26,29)
InChIKeyLREMYYRFQMBMMQ-UHFFFAOYSA-N
MW417.57 g/mol
LogP3.75
Rot. Bonds6

About 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide

2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide (PubChem CID 55468968) has the molecular formula C24H36FN3O2 and a molecular weight of 417.57 g/mol. Its IUPAC name is 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
PubChem CID55468968
Molecular FormulaC24H36FN3O2
Molecular Weight417.57 g/mol
Exact Mass417.28
IUPAC Name2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
SMILESCC(C)C(NC(=O)CN1CCC(C(=O)N2CCCCCC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H36FN3O2/c1-18(2)23(19-7-9-21(25)10-8-19)26-22(29)17-27-15-11-20(12-16-27)24(30)28-13-5-3-4-6-14-28/h7-10,18,20,23H,3-6,11-17H2,1-2H3,(H,26,29)
InChIKeyLREMYYRFQMBMMQ-UHFFFAOYSA-N
XLogP3.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.57
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 46657908
1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119903905
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
CID 40895557
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 41104934
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 46828413
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide
CID 86911679
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 17490744
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 46666038
2-(4-aminopiperidin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 79322682
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 46444722
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide
CID 167964832
2-(4-hydroxypiperidin-1-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 41335963

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide (CID 55468968) is 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide is CC(C)C(NC(=O)CN1CCC(C(=O)N2CCCCCC2)CC1)c1ccc(F)cc1.
What is the InChIKey of 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide?
The InChIKey is LREMYYRFQMBMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36FN3O2/c1-18(2)23(19-7-9-21(25)10-8-19)26-22(29)17-27-15-11-20(12-16-27)24(30)28-13-5-3-4-6-14-28/h7-10,18,20,23H,3-6,11-17H2,1-2H3,(H,26,29).
What are the key properties of 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide?
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide has a molecular weight of 417.57 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 55468968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).