1-(difluoromethyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide

C18H27F2N3OS — CID 154758239

IUPAC1-(difluoromethyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
SMILESCc1nc(CN2CCC(CNC(=O)C3(C(F)F)CCCC3)CC2)cs1
InChIInChI=1S/C18H27F2N3OS/c1-13-22-15(12-25-13)11-23-8-4-14(5-9-23)10-21-17(24)18(16(19)20)6-2-3-7-18/h12,14,16H,2-11H2,1H3,(H,21,24)
InChIKeyHKFZTMQYCMENCV-UHFFFAOYSA-N
MW371.50 g/mol
LogP3.61
Rot. Bonds6

About 1-(difluoromethyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide

1-(difluoromethyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide (PubChem CID 154758239) has the molecular formula C18H27F2N3OS and a molecular weight of 371.50 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
PubChem CID154758239
Molecular FormulaC18H27F2N3OS
Molecular Weight371.50 g/mol
Exact Mass371.18
IUPAC Name1-(difluoromethyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
SMILESCc1nc(CN2CCC(CNC(=O)C3(C(F)F)CCCC3)CC2)cs1
InChIInChI=1S/C18H27F2N3OS/c1-13-22-15(12-25-13)11-23-8-4-14(5-9-23)10-21-17(24)18(16(19)20)6-2-3-7-18/h12,14,16H,2-11H2,1H3,(H,21,24)
InChIKeyHKFZTMQYCMENCV-UHFFFAOYSA-N
XLogP3.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide (CID 154758239) is 1-(difluoromethyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide is Cc1nc(CN2CCC(CNC(=O)C3(C(F)F)CCCC3)CC2)cs1.
What is the InChIKey of 1-(difluoromethyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide?
The InChIKey is HKFZTMQYCMENCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N3OS/c1-13-22-15(12-25-13)11-23-8-4-14(5-9-23)10-21-17(24)18(16(19)20)6-2-3-7-18/h12,14,16H,2-11H2,1H3,(H,21,24).
What are the key properties of 1-(difluoromethyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide?
1-(difluoromethyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide has a molecular weight of 371.50 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 154758239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).