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

C15H27Cl2N3OS — CID 119890773

IUPAC3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
SMILESCCC(NC(=O)CC(C)C1CCCNC1)c1nccs1.Cl.Cl
InChIInChI=1S/C15H25N3OS.2ClH/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);2*1H
InChIKeyYVDRZBBDLPDEID-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.58
Rot. Bonds6

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

3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride (PubChem CID 119890773) has the molecular formula C15H27Cl2N3OS and a molecular weight of 368.37 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
PubChem CID119890773
Molecular FormulaC15H27Cl2N3OS
Molecular Weight368.37 g/mol
Exact Mass367.13
IUPAC Name3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
SMILESCCC(NC(=O)CC(C)C1CCCNC1)c1nccs1.Cl.Cl
InChIInChI=1S/C15H25N3OS.2ClH/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);2*1H
InChIKeyYVDRZBBDLPDEID-UHFFFAOYSA-N
XLogP3.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.58
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
CID 81044210
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
3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride
CID 119687075
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119898116
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
2-(cyclopropylmethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119890777
N-hexan-3-yl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119757674
3-piperidin-3-yl-N-pyrimidin-2-ylbutanamide
CID 81043820
(2R)-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044692
N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide
CID 81047426

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride?
The IUPAC name of 3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride (CID 119890773) is 3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride?
The canonical SMILES for 3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride is CCC(NC(=O)CC(C)C1CCCNC1)c1nccs1.Cl.Cl.
What is the InChIKey of 3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride?
The InChIKey is YVDRZBBDLPDEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS.2ClH/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);2*1H.
What are the key properties of 3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride?
3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride has a molecular weight of 368.37 g/mol, XLogP of 3.58, 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;dihydrochloride is sourced from PubChem (CID 119890773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).