N-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide

C20H31N3O2S — CID 71841758

IUPACN-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1csc(C2CCCN(C(=O)C3CCCC3)C2)n1
InChIInChI=1S/C20H31N3O2S/c1-14(2)18(24)21-10-9-17-13-26-19(22-17)16-8-5-11-23(12-16)20(25)15-6-3-4-7-15/h13-16H,3-12H2,1-2H3,(H,21,24)
InChIKeyPUAIOBUKFBQDPY-UHFFFAOYSA-N
MW377.55 g/mol
LogP3.35
Rot. Bonds6

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

N-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide (PubChem CID 71841758) has the molecular formula C20H31N3O2S and a molecular weight of 377.55 g/mol. Its IUPAC name is N-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide
PubChem CID71841758
Molecular FormulaC20H31N3O2S
Molecular Weight377.55 g/mol
Exact Mass377.21
IUPAC NameN-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1csc(C2CCCN(C(=O)C3CCCC3)C2)n1
InChIInChI=1S/C20H31N3O2S/c1-14(2)18(24)21-10-9-17-13-26-19(22-17)16-8-5-11-23(12-16)20(25)15-6-3-4-7-15/h13-16H,3-12H2,1-2H3,(H,21,24)
InChIKeyPUAIOBUKFBQDPY-UHFFFAOYSA-N
XLogP3.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.55
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide 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
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
N-(1-acetylpiperidin-4-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide
CID 53554580
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(1-methylpiperidin-4-yl)acetamide
CID 53557253
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(1-ethylpiperidin-4-yl)acetamide
CID 53592083
2-(2-Ethyl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 56819149
1-(2-amino-2-oxoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-piperidinecarboxamide
CID 70787928
1-[2-[2-(4-Methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetyl]piperidine-3-carboxamide
CID 71868987

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide (CID 71841758) is N-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCc1csc(C2CCCN(C(=O)C3CCCC3)C2)n1.
What is the InChIKey of N-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide?
The InChIKey is PUAIOBUKFBQDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2S/c1-14(2)18(24)21-10-9-17-13-26-19(22-17)16-8-5-11-23(12-16)20(25)15-6-3-4-7-15/h13-16H,3-12H2,1-2H3,(H,21,24).
What are the key properties of N-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide?
N-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide has a molecular weight of 377.55 g/mol, XLogP of 3.35, 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-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 71841758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).