N-[2-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide

C21H31N3O2S — CID 71841735

IUPACN-[2-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1csc(C2CCCN(C(=O)C3CCCCC3)C2)n1)C1CC1
InChIInChI=1S/C21H31N3O2S/c25-19(15-8-9-15)22-11-10-18-14-27-20(23-18)17-7-4-12-24(13-17)21(26)16-5-2-1-3-6-16/h14-17H,1-13H2,(H,22,25)
InChIKeyYNISEVQVOUNTEJ-UHFFFAOYSA-N
MW389.57 g/mol
LogP3.50
Rot. Bonds6

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

N-[2-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide (PubChem CID 71841735) has the molecular formula C21H31N3O2S and a molecular weight of 389.57 g/mol. Its IUPAC name is N-[2-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
PubChem CID71841735
Molecular FormulaC21H31N3O2S
Molecular Weight389.57 g/mol
Exact Mass389.21
IUPAC NameN-[2-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1csc(C2CCCN(C(=O)C3CCCCC3)C2)n1)C1CC1
InChIInChI=1S/C21H31N3O2S/c25-19(15-8-9-15)22-11-10-18-14-27-20(23-18)17-7-4-12-24(13-17)21(26)16-5-2-1-3-6-16/h14-17H,1-13H2,(H,22,25)
InChIKeyYNISEVQVOUNTEJ-UHFFFAOYSA-N
XLogP3.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide
CID 53554580
1-acetyl-N-(2-{2-[(methylthio)methyl]-1,3-thiazol-4-yl}ethyl)-3-piperidinecarboxamide
CID 72838132
N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72873495
N-[[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide
CID 53149401
N-[[2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
CID 53149424
N-({2-[1-(cyclopentylcarbonyl)-3-piperidyl]-1,3-thiazol-4-yl}methyl)-2-methylpropanamide
CID 53149425
N-(2-{2-[1-(cyclohexylcarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl}ethyl)acetamide
CID 53149558
N-[2-[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 53149577
N-{2-[2-(1-butyryl-3-piperidyl)-1,3-thiazol-4-yl]ethyl}-2-methylpropanamide
CID 53149603
N-(2-{2-[1-(2-Methylpropanoyl)piperidin-3-YL]-1,3-thiazol-4-YL}ethyl)cyclopropanecarboxamide
CID 71841700
N-{2-[2-(1-Butanoylpiperidin-3-YL)-1,3-thiazol-4-YL]ethyl}cyclopropanecarboxamide
CID 71841701
N-{2-[2-(1-Propanoylpiperidin-3-YL)-1,3-thiazol-4-YL]ethyl}cyclopropanecarboxamide
CID 71841702

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide (CID 71841735) is N-[2-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide is O=C(NCCc1csc(C2CCCN(C(=O)C3CCCCC3)C2)n1)C1CC1.
What is the InChIKey of N-[2-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is YNISEVQVOUNTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2S/c25-19(15-8-9-15)22-11-10-18-14-27-20(23-18)17-7-4-12-24(13-17)21(26)16-5-2-1-3-6-16/h14-17H,1-13H2,(H,22,25).
What are the key properties of N-[2-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
N-[2-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 389.57 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 71841735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).