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

C18H27N3O2S — CID 71841701

IUPACN-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
SMILESCCCC(=O)N1CCCC(c2nc(CCNC(=O)C3CC3)cs2)C1
InChIInChI=1S/C18H27N3O2S/c1-2-4-16(22)21-10-3-5-14(11-21)18-20-15(12-24-18)8-9-19-17(23)13-6-7-13/h12-14H,2-11H2,1H3,(H,19,23)
InChIKeyWVDWUSPDRWROSA-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.72
Rot. Bonds7

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

N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide (PubChem CID 71841701) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
PubChem CID71841701
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC NameN-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
SMILESCCCC(=O)N1CCCC(c2nc(CCNC(=O)C3CC3)cs2)C1
InChIInChI=1S/C18H27N3O2S/c1-2-4-16(22)21-10-3-5-14(11-21)18-20-15(12-24-18)8-9-19-17(23)13-6-7-13/h12-14H,2-11H2,1H3,(H,19,23)
InChIKeyWVDWUSPDRWROSA-UHFFFAOYSA-N
XLogP2.72
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-isopropyl-1'-[(4-isopropyl-1,3-thiazol-2-yl)methyl]-1,4'-bipiperidine-4-carboxamide
CID 16189152
N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyethyl)-6-oxo-3-piperidinecarboxamide
CID 24790870
1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-1,4-dicarboxamide
CID 45810788
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 45813059
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 45887778
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 47031356
N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 47035836
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-3-carboxamide
CID 49440653
N,N-diethyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
CID 51099994
2-(2-Ethyl-1,3-thiazol-4-yl)-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 53513549
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide
CID 53518138
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide
CID 53519126

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide (CID 71841701) is N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide is CCCC(=O)N1CCCC(c2nc(CCNC(=O)C3CC3)cs2)C1.
What is the InChIKey of N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is WVDWUSPDRWROSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-2-4-16(22)21-10-3-5-14(11-21)18-20-15(12-24-18)8-9-19-17(23)13-6-7-13/h12-14H,2-11H2,1H3,(H,19,23).
What are the key properties of N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 349.50 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 71841701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).