N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride

C18H25ClN4OS — CID 119816636

IUPACN-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCc1nnc(-c2ccccc2)s1)C1CCCNC1.Cl
InChIInChI=1S/C18H24N4OS.ClH/c1-13(15-8-5-9-19-11-15)10-16(23)20-12-17-21-22-18(24-17)14-6-3-2-4-7-14;/h2-4,6-7,13,15,19H,5,8-12H2,1H3,(H,20,23);1H
InChIKeyWPKJRFIODRZFSV-UHFFFAOYSA-N
MW380.95 g/mol
LogP3.27
Rot. Bonds6

About N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119816636) has the molecular formula C18H25ClN4OS and a molecular weight of 380.95 g/mol. Its IUPAC name is N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119816636
Molecular FormulaC18H25ClN4OS
Molecular Weight380.95 g/mol
Exact Mass380.14
IUPAC NameN-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCc1nnc(-c2ccccc2)s1)C1CCCNC1.Cl
InChIInChI=1S/C18H24N4OS.ClH/c1-13(15-8-5-9-19-11-15)10-16(23)20-12-17-21-22-18(24-17)14-6-3-2-4-7-14;/h2-4,6-7,13,15,19H,5,8-12H2,1H3,(H,20,23);1H
InChIKeyWPKJRFIODRZFSV-UHFFFAOYSA-N
XLogP3.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.95
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 81043996
N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119728201
N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119712153
N-[(5-chlorothiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119730060
N-[2-(benzylsulfamoyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119723676
N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119869388
N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide
CID 119738344
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
N-(4-phenyl-1,3-thiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670223
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-piperidin-3-ylbutanamide
CID 119898673
N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705537
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 81048441

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119816636) is N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)NCc1nnc(-c2ccccc2)s1)C1CCCNC1.Cl.
What is the InChIKey of N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is WPKJRFIODRZFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS.ClH/c1-13(15-8-5-9-19-11-15)10-16(23)20-12-17-21-22-18(24-17)14-6-3-2-4-7-14;/h2-4,6-7,13,15,19H,5,8-12H2,1H3,(H,20,23);1H.
What are the key properties of N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 380.95 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119816636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).