N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide

C15H25N3OS — CID 119875889

IUPACN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide
SMILESCc1csc(C(C)NC(=O)CC(C)C2CCNCC2)n1
InChIInChI=1S/C15H25N3OS/c1-10(13-4-6-16-7-5-13)8-14(19)18-12(3)15-17-11(2)9-20-15/h9-10,12-13,16H,4-8H2,1-3H3,(H,18,19)
InChIKeyOXLSTFSDAUFJOA-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.65
Rot. Bonds5

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

N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide (PubChem CID 119875889) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide
PubChem CID119875889
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC NameN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide
SMILESCc1csc(C(C)NC(=O)CC(C)C2CCNCC2)n1
InChIInChI=1S/C15H25N3OS/c1-10(13-4-6-16-7-5-13)8-14(19)18-12(3)15-17-11(2)9-20-15/h9-10,12-13,16H,4-8H2,1-3H3,(H,18,19)
InChIKeyOXLSTFSDAUFJOA-UHFFFAOYSA-N
XLogP2.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119886487
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119900144
3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 119686110
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119878891
N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119685524
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 79614754
3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 82108654
(2R)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 113267552
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-3-piperidin-4-ylbutanamide
CID 119711409
N-butan-2-yl-3-piperidin-4-ylbutanamide
CID 119669606
N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide
CID 119806695
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-piperidin-4-ylbutanamide
CID 119721978

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide (CID 119875889) is N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide is Cc1csc(C(C)NC(=O)CC(C)C2CCNCC2)n1.
What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide?
The InChIKey is OXLSTFSDAUFJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-10(13-4-6-16-7-5-13)8-14(19)18-12(3)15-17-11(2)9-20-15/h9-10,12-13,16H,4-8H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide?
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide has a molecular weight of 295.45 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119875889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).