N-[1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pentanamide

C18H29N3O2S — CID 47724813

IUPACN-[1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pentanamide
SMILESCCCCC(=O)NC1CCN(C(=O)c2cnc(C(C)(C)C)s2)CC1
InChIInChI=1S/C18H29N3O2S/c1-5-6-7-15(22)20-13-8-10-21(11-9-13)16(23)14-12-19-17(24-14)18(2,3)4/h12-13H,5-11H2,1-4H3,(H,20,22)
InChIKeyMCKTYMHXHGFDPU-UHFFFAOYSA-N
MW351.52 g/mol
LogP3.35
Rot. Bonds5

About N-[1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pentanamide

N-[1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pentanamide (PubChem CID 47724813) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is N-[1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pentanamide.

Molecular Properties

Compound NameN-[1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pentanamide
PubChem CID47724813
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC NameN-[1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pentanamide
SMILESCCCCC(=O)NC1CCN(C(=O)c2cnc(C(C)(C)C)s2)CC1
InChIInChI=1S/C18H29N3O2S/c1-5-6-7-15(22)20-13-8-10-21(11-9-13)16(23)14-12-19-17(24-14)18(2,3)4/h12-13H,5-11H2,1-4H3,(H,20,22)
InChIKeyMCKTYMHXHGFDPU-UHFFFAOYSA-N
XLogP3.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 47925520
N-[1-(2-methylbenzoyl)piperidin-4-yl]pentanamide
CID 110820234
N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pentanamide
CID 108561888
(2-tert-butyl-1,3-thiazol-5-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 86843751
2-tert-butyl-N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 126770959
N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pentanamide
CID 108555513
N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 55692324
N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pentanamide
CID 108561890
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]pentanamide
CID 108555501
[4-(methylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 119563984
N-[1-(3-fluorobenzoyl)piperidin-4-yl]pentanamide
CID 110820382
N-(1-acetylpyrrolidin-3-yl)pentanamide
CID 110871326

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pentanamide?
The IUPAC name of N-[1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pentanamide (CID 47724813) is N-[1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pentanamide.
What is the SMILES notation for N-[1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pentanamide?
The canonical SMILES for N-[1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pentanamide is CCCCC(=O)NC1CCN(C(=O)c2cnc(C(C)(C)C)s2)CC1.
What is the InChIKey of N-[1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pentanamide?
The InChIKey is MCKTYMHXHGFDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-5-6-7-15(22)20-13-8-10-21(11-9-13)16(23)14-12-19-17(24-14)18(2,3)4/h12-13H,5-11H2,1-4H3,(H,20,22).
What are the key properties of N-[1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pentanamide?
N-[1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pentanamide has a molecular weight of 351.52 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pentanamide is sourced from PubChem (CID 47724813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).