N-[[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide

C19H27N3O2S — CID 53149370

IUPACN-[[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1csc(C2CCN(C(=O)C3CCCC3)CC2)n1)C1CC1
InChIInChI=1S/C19H27N3O2S/c23-17(13-5-6-13)20-11-16-12-25-18(21-16)14-7-9-22(10-8-14)19(24)15-3-1-2-4-15/h12-15H,1-11H2,(H,20,23)
InChIKeyJBRZOSKRHOTOBV-UHFFFAOYSA-N
MW361.51 g/mol
LogP3.07
Rot. Bonds5

About N-[[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide

N-[[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide (PubChem CID 53149370) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-[[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
PubChem CID53149370
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN-[[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1csc(C2CCN(C(=O)C3CCCC3)CC2)n1)C1CC1
InChIInChI=1S/C19H27N3O2S/c23-17(13-5-6-13)20-11-16-12-25-18(21-16)14-7-9-22(10-8-14)19(24)15-3-1-2-4-15/h12-15H,1-11H2,(H,20,23)
InChIKeyJBRZOSKRHOTOBV-UHFFFAOYSA-N
XLogP3.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide (CID 53149370) is N-[[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide is O=C(NCc1csc(C2CCN(C(=O)C3CCCC3)CC2)n1)C1CC1.
What is the InChIKey of N-[[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide?
The InChIKey is JBRZOSKRHOTOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c23-17(13-5-6-13)20-11-16-12-25-18(21-16)14-7-9-22(10-8-14)19(24)15-3-1-2-4-15/h12-15H,1-11H2,(H,20,23).
What are the key properties of N-[[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide?
N-[[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide has a molecular weight of 361.51 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 53149370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).