[1-(cyclopropylamino)cyclobutyl]-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

C18H27N3OS — CID 154784795

IUPAC[1-(cyclopropylamino)cyclobutyl]-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1nc(C2CCCN(C(=O)C3(NC4CC4)CCC3)C2)sc1C
InChIInChI=1S/C18H27N3OS/c1-12-13(2)23-16(19-12)14-5-3-10-21(11-14)17(22)18(8-4-9-18)20-15-6-7-15/h14-15,20H,3-11H2,1-2H3
InChIKeyPHRVZQXYJYMOSF-UHFFFAOYSA-N
MW333.50 g/mol
LogP3.14
Rot. Bonds4

About [1-(cyclopropylamino)cyclobutyl]-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

[1-(cyclopropylamino)cyclobutyl]-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 154784795) has the molecular formula C18H27N3OS and a molecular weight of 333.50 g/mol. Its IUPAC name is [1-(cyclopropylamino)cyclobutyl]-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(cyclopropylamino)cyclobutyl]-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID154784795
Molecular FormulaC18H27N3OS
Molecular Weight333.50 g/mol
Exact Mass333.19
IUPAC Name[1-(cyclopropylamino)cyclobutyl]-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1nc(C2CCCN(C(=O)C3(NC4CC4)CCC3)C2)sc1C
InChIInChI=1S/C18H27N3OS/c1-12-13(2)23-16(19-12)14-5-3-10-21(11-14)17(22)18(8-4-9-18)20-15-6-7-15/h14-15,20H,3-11H2,1-2H3
InChIKeyPHRVZQXYJYMOSF-UHFFFAOYSA-N
XLogP3.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(aminomethyl)oxan-4-yl]-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 120940816
[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-3-yl)methanone
CID 95777886
2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid
CID 119135139
[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 95777950
[6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95777882
[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(2S)-1,4-dioxan-2-yl]methanone
CID 95777919
[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 95777767
[1-(2,2-difluoroethyl)azetidin-3-yl]-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 138036814
1-[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95777917
1-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 95777862
(2R)-1-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylpropan-1-one
CID 95777810
[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 95777969

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)cyclobutyl]-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-(cyclopropylamino)cyclobutyl]-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 154784795) is [1-(cyclopropylamino)cyclobutyl]-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(cyclopropylamino)cyclobutyl]-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(cyclopropylamino)cyclobutyl]-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is Cc1nc(C2CCCN(C(=O)C3(NC4CC4)CCC3)C2)sc1C.
What is the InChIKey of [1-(cyclopropylamino)cyclobutyl]-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is PHRVZQXYJYMOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3OS/c1-12-13(2)23-16(19-12)14-5-3-10-21(11-14)17(22)18(8-4-9-18)20-15-6-7-15/h14-15,20H,3-11H2,1-2H3.
What are the key properties of [1-(cyclopropylamino)cyclobutyl]-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
[1-(cyclopropylamino)cyclobutyl]-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 333.50 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)cyclobutyl]-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 154784795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).