3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide

C15H25N3OS — CID 81044210

IUPAC3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide
SMILESCCC(NC(=O)CC(C)C1CCCNC1)c1nccs1
InChIInChI=1S/C15H25N3OS/c1-3-13(15-17-7-8-20-15)18-14(19)9-11(2)12-5-4-6-16-10-12/h7-8,11-13,16H,3-6,9-10H2,1-2H3,(H,18,19)
InChIKeyMRPDWOGMFGFCNR-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.74
Rot. Bonds6

About 3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide

3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide (PubChem CID 81044210) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide.

Molecular Properties

Compound Name3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide
PubChem CID81044210
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide
SMILESCCC(NC(=O)CC(C)C1CCCNC1)c1nccs1
InChIInChI=1S/C15H25N3OS/c1-3-13(15-17-7-8-20-15)18-14(19)9-11(2)12-5-4-6-16-10-12/h7-8,11-13,16H,3-6,9-10H2,1-2H3,(H,18,19)
InChIKeyMRPDWOGMFGFCNR-UHFFFAOYSA-N
XLogP2.74
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119890773
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827
3-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride
CID 119892416
2-cyclopentyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 99630332
N-(3-ethylpentan-2-yl)-3-piperidin-3-ylbutanamide
CID 81043690
3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride
CID 119687075
3-piperidin-3-yl-N-pyrimidin-2-ylbutanamide
CID 81043820
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119898116
(2R)-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044692
N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide
CID 81047426
3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81404285
3-piperidin-3-yl-N-(1-pyridin-3-ylethyl)butanamide
CID 81043571

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide?
The IUPAC name of 3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide (CID 81044210) is 3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide.
What is the SMILES notation for 3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide?
The canonical SMILES for 3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide is CCC(NC(=O)CC(C)C1CCCNC1)c1nccs1.
What is the InChIKey of 3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide?
The InChIKey is MRPDWOGMFGFCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-3-13(15-17-7-8-20-15)18-14(19)9-11(2)12-5-4-6-16-10-12/h7-8,11-13,16H,3-6,9-10H2,1-2H3,(H,18,19).
What are the key properties of 3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide?
3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide has a molecular weight of 295.45 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide is sourced from PubChem (CID 81044210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).