piperidin-4-yl 4-[(5-methylthiophene-2-carbonyl)amino]benzoate;hydrochloride

C18H21ClN2O3S — CID 75430125

IUPACpiperidin-4-yl 4-[(5-methylthiophene-2-carbonyl)amino]benzoate;hydrochloride
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)OC3CCNCC3)cc2)s1.Cl
InChIInChI=1S/C18H20N2O3S.ClH/c1-12-2-7-16(24-12)17(21)20-14-5-3-13(4-6-14)18(22)23-15-8-10-19-11-9-15;/h2-7,15,19H,8-11H2,1H3,(H,20,21);1H
InChIKeyBBKCUOGNYGDGQR-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.64
Rot. Bonds4

About piperidin-4-yl 4-[(5-methylthiophene-2-carbonyl)amino]benzoate;hydrochloride

piperidin-4-yl 4-[(5-methylthiophene-2-carbonyl)amino]benzoate;hydrochloride (PubChem CID 75430125) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is piperidin-4-yl 4-[(5-methylthiophene-2-carbonyl)amino]benzoate;hydrochloride.

Molecular Properties

Compound Namepiperidin-4-yl 4-[(5-methylthiophene-2-carbonyl)amino]benzoate;hydrochloride
PubChem CID75430125
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Namepiperidin-4-yl 4-[(5-methylthiophene-2-carbonyl)amino]benzoate;hydrochloride
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)OC3CCNCC3)cc2)s1.Cl
InChIInChI=1S/C18H20N2O3S.ClH/c1-12-2-7-16(24-12)17(21)20-14-5-3-13(4-6-14)18(22)23-15-8-10-19-11-9-15;/h2-7,15,19H,8-11H2,1H3,(H,20,21);1H
InChIKeyBBKCUOGNYGDGQR-UHFFFAOYSA-N
XLogP3.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

piperidin-4-yl 4-[(4-fluorobenzoyl)amino]benzoate;hydrochloride
CID 91645336
piperidin-4-yl 4-[(3-methylfuran-2-carbonyl)amino]benzoate
CID 75430151
piperidin-4-yl 4-[(1-oxidopyridin-1-ium-4-carbonyl)amino]benzoate
CID 75430153
piperidin-4-yl 4-fluorobenzoate
CID 22921983
piperidin-4-yl 4-(4,4,4-trifluorobutanoylamino)benzoate
CID 86813781
N-(4-ethylphenyl)-5-methylthiophene-2-carboxamide
CID 42992010
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide
CID 63900297
piperidin-4-yl 3-[(4-fluorobenzoyl)amino]benzoate;hydrochloride
CID 102560121
N-(4-aminophenyl)-5-methylthiophene-2-carboxamide
CID 22612974
cyclohexyl 4-[(4-fluorobenzoyl)amino]benzoate
CID 17128629
5-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 52555639
5-methyl-N-[4-[C-methyl-N-[(5-methylthiophene-2-carbonyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 3448356

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl 4-[(5-methylthiophene-2-carbonyl)amino]benzoate;hydrochloride?
The IUPAC name of piperidin-4-yl 4-[(5-methylthiophene-2-carbonyl)amino]benzoate;hydrochloride (CID 75430125) is piperidin-4-yl 4-[(5-methylthiophene-2-carbonyl)amino]benzoate;hydrochloride.
What is the SMILES notation for piperidin-4-yl 4-[(5-methylthiophene-2-carbonyl)amino]benzoate;hydrochloride?
The canonical SMILES for piperidin-4-yl 4-[(5-methylthiophene-2-carbonyl)amino]benzoate;hydrochloride is Cc1ccc(C(=O)Nc2ccc(C(=O)OC3CCNCC3)cc2)s1.Cl.
What is the InChIKey of piperidin-4-yl 4-[(5-methylthiophene-2-carbonyl)amino]benzoate;hydrochloride?
The InChIKey is BBKCUOGNYGDGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S.ClH/c1-12-2-7-16(24-12)17(21)20-14-5-3-13(4-6-14)18(22)23-15-8-10-19-11-9-15;/h2-7,15,19H,8-11H2,1H3,(H,20,21);1H.
What are the key properties of piperidin-4-yl 4-[(5-methylthiophene-2-carbonyl)amino]benzoate;hydrochloride?
piperidin-4-yl 4-[(5-methylthiophene-2-carbonyl)amino]benzoate;hydrochloride has a molecular weight of 380.90 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl 4-[(5-methylthiophene-2-carbonyl)amino]benzoate;hydrochloride is sourced from PubChem (CID 75430125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).