N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride

C16H29ClN4OS — CID 119679508

IUPACN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCCC(CC)c1nnc(NC(=O)CC(C)C2CCCNC2)s1.Cl
InChIInChI=1S/C16H28N4OS.ClH/c1-4-12(5-2)15-19-20-16(22-15)18-14(21)9-11(3)13-7-6-8-17-10-13;/h11-13,17H,4-10H2,1-3H3,(H,18,20,21);1H
InChIKeyLBFPQFQZKMQSKM-UHFFFAOYSA-N
MW360.96 g/mol
LogP3.83
Rot. Bonds7

About N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride

N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119679508) has the molecular formula C16H29ClN4OS and a molecular weight of 360.96 g/mol. Its IUPAC name is N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119679508
Molecular FormulaC16H29ClN4OS
Molecular Weight360.96 g/mol
Exact Mass360.18
IUPAC NameN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCCC(CC)c1nnc(NC(=O)CC(C)C2CCCNC2)s1.Cl
InChIInChI=1S/C16H28N4OS.ClH/c1-4-12(5-2)15-19-20-16(22-15)18-14(21)9-11(3)13-7-6-8-17-10-13;/h11-13,17H,4-10H2,1-3H3,(H,18,20,21);1H
InChIKeyLBFPQFQZKMQSKM-UHFFFAOYSA-N
XLogP3.83
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.96
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119777365
N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide
CID 119777366
N-(4-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119679567
N-(6-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119674536
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119676658
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119828534
3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide
CID 107588596
3-piperidin-3-yl-N-pyrimidin-2-ylbutanamide
CID 81043820
N-(4-phenyl-1,3-thiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670223
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-piperidin-3-ylbutanamide
CID 119828535
3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119890773
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide
CID 119718739

Frequently Asked Questions

What is the IUPAC name of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119679508) is N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride is CCC(CC)c1nnc(NC(=O)CC(C)C2CCCNC2)s1.Cl.
What is the InChIKey of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is LBFPQFQZKMQSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4OS.ClH/c1-4-12(5-2)15-19-20-16(22-15)18-14(21)9-11(3)13-7-6-8-17-10-13;/h11-13,17H,4-10H2,1-3H3,(H,18,20,21);1H.
What are the key properties of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 360.96 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119679508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).