3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride

C15H24ClN3O2S — CID 120578938

IUPAC3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCc1ccc(C(=O)N2CCCCC2CNC(=O)CCN)s1.Cl
InChIInChI=1S/C15H23N3O2S.ClH/c1-11-5-6-13(21-11)15(20)18-9-3-2-4-12(18)10-17-14(19)7-8-16;/h5-6,12H,2-4,7-10,16H2,1H3,(H,17,19);1H
InChIKeyNZGHGORIDVEOLU-UHFFFAOYSA-N
MW345.90 g/mol
LogP1.94
Rot. Bonds5

About 3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120578938) has the molecular formula C15H24ClN3O2S and a molecular weight of 345.90 g/mol. Its IUPAC name is 3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120578938
Molecular FormulaC15H24ClN3O2S
Molecular Weight345.90 g/mol
Exact Mass345.13
IUPAC Name3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCc1ccc(C(=O)N2CCCCC2CNC(=O)CCN)s1.Cl
InChIInChI=1S/C15H23N3O2S.ClH/c1-11-5-6-13(21-11)15(20)18-9-3-2-4-12(18)10-17-14(19)7-8-16;/h5-6,12H,2-4,7-10,16H2,1H3,(H,17,19);1H
InChIKeyNZGHGORIDVEOLU-UHFFFAOYSA-N
XLogP1.94
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.90
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[1-(5-methyl-4-nitrothiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579140
3-amino-N-[[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578898
3-amino-N-[[1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120578002
3-amino-N-[[1-(3-bromo-2-methylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120579999
3-amino-N-[[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579762
3-amino-N-[[1-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578558
3-amino-N-[[1-(4-cyclohexylbenzoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578206
3-amino-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579244
3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580275
5-[2-[(3-aminopropanoylamino)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide
CID 120579115
3-amino-N-[[1-(4-ethylthiadiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579438
3-amino-N-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120580035

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120578938) is 3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride is Cc1ccc(C(=O)N2CCCCC2CNC(=O)CCN)s1.Cl.
What is the InChIKey of 3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is NZGHGORIDVEOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S.ClH/c1-11-5-6-13(21-11)15(20)18-9-3-2-4-12(18)10-17-14(19)7-8-16;/h5-6,12H,2-4,7-10,16H2,1H3,(H,17,19);1H.
What are the key properties of 3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 345.90 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120578938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).