[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone

C19H30F2N4O2 — CID 58243437

IUPAC[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CN(C(=O)N2CCCN(C3CCC3)CC2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C19H30F2N4O2/c20-19(21)5-9-23(10-6-19)17(26)15-13-25(14-15)18(27)24-8-2-7-22(11-12-24)16-3-1-4-16/h15-16H,1-14H2
InChIKeyAYBGCBBMBSWHKA-UHFFFAOYSA-N
MW384.47 g/mol
LogP1.86
Rot. Bonds2

About [1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone

[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 58243437) has the molecular formula C19H30F2N4O2 and a molecular weight of 384.47 g/mol. Its IUPAC name is [1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID58243437
Molecular FormulaC19H30F2N4O2
Molecular Weight384.47 g/mol
Exact Mass384.23
IUPAC Name[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CN(C(=O)N2CCCN(C3CCC3)CC2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C19H30F2N4O2/c20-19(21)5-9-23(10-6-19)17(26)15-13-25(14-15)18(27)24-8-2-7-22(11-12-24)16-3-1-4-16/h15-16H,1-14H2
InChIKeyAYBGCBBMBSWHKA-UHFFFAOYSA-N
XLogP1.86
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-methylazetidine-3-carboxamide
CID 67057849
2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-7-azaspiro[3.5]nonane-7-carboxylic acid
CID 90973714
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(piperidin-1-yl)methanone
CID 113234472
(4-cyclobutyl-1,4-diazepan-1-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 58243416
cyclobutyl-(4-cycloheptylpiperazin-1-yl)methanone
CID 113074947
[1-(4-aminobenzoyl)azetidin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone
CID 70221560
[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 112815528
N-(4-aminophenyl)-3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-methylazetidine-1-carboxamide
CID 70219044
1-cyclobutyl-4,4-difluoropiperidine
CID 91599149
bis(4,4-difluoropiperidin-1-yl)methanone
CID 140517091
N-(4-chlorophenyl)-1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidine-3-carboxamide
CID 67057839
3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-(oxan-4-ylmethyl)azetidine-1-carboxamide
CID 46852299

Frequently Asked Questions

What is the IUPAC name of [1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 58243437) is [1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone is O=C(C1CN(C(=O)N2CCCN(C3CCC3)CC2)C1)N1CCC(F)(F)CC1.
What is the InChIKey of [1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is AYBGCBBMBSWHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F2N4O2/c20-19(21)5-9-23(10-6-19)17(26)15-13-25(14-15)18(27)24-8-2-7-22(11-12-24)16-3-1-4-16/h15-16H,1-14H2.
What are the key properties of [1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 384.47 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 58243437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).