N-(2-methyl-2-thiophen-2-ylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride

C17H29ClN2OS — CID 119787657

IUPACN-(2-methyl-2-thiophen-2-ylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCC(C)(C)c1cccs1)C1CCCNC1.Cl
InChIInChI=1S/C17H28N2OS.ClH/c1-13(14-6-4-8-18-11-14)10-16(20)19-12-17(2,3)15-7-5-9-21-15;/h5,7,9,13-14,18H,4,6,8,10-12H2,1-3H3,(H,19,20);1H
InChIKeyVZQPHFVYAJFCBE-UHFFFAOYSA-N
MW344.95 g/mol
LogP3.59
Rot. Bonds6

About N-(2-methyl-2-thiophen-2-ylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride

N-(2-methyl-2-thiophen-2-ylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119787657) has the molecular formula C17H29ClN2OS and a molecular weight of 344.95 g/mol. Its IUPAC name is N-(2-methyl-2-thiophen-2-ylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methyl-2-thiophen-2-ylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119787657
Molecular FormulaC17H29ClN2OS
Molecular Weight344.95 g/mol
Exact Mass344.17
IUPAC NameN-(2-methyl-2-thiophen-2-ylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCC(C)(C)c1cccs1)C1CCCNC1.Cl
InChIInChI=1S/C17H28N2OS.ClH/c1-13(14-6-4-8-18-11-14)10-16(20)19-12-17(2,3)15-7-5-9-21-15;/h5,7,9,13-14,18H,4,6,8,10-12H2,1-3H3,(H,19,20);1H
InChIKeyVZQPHFVYAJFCBE-UHFFFAOYSA-N
XLogP3.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.95
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 122080829
3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride
CID 119687075
N-(2-methyl-2-methylsulfanylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119790992
N-(2,3-dihydroxy-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81044622
3-piperidin-3-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide
CID 119769268
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119736178
2-(1,4-diazepan-1-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 80527451
3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 81043996
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-(1-piperidin-3-ylethyl)-2-thiophen-2-ylacetamide;hydrochloride
CID 119474131

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119787657) is N-(2-methyl-2-thiophen-2-ylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(2-methyl-2-thiophen-2-ylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(2-methyl-2-thiophen-2-ylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)NCC(C)(C)c1cccs1)C1CCCNC1.Cl.
What is the InChIKey of N-(2-methyl-2-thiophen-2-ylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is VZQPHFVYAJFCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS.ClH/c1-13(14-6-4-8-18-11-14)10-16(20)19-12-17(2,3)15-7-5-9-21-15;/h5,7,9,13-14,18H,4,6,8,10-12H2,1-3H3,(H,19,20);1H.
What are the key properties of N-(2-methyl-2-thiophen-2-ylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(2-methyl-2-thiophen-2-ylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 344.95 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-thiophen-2-ylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119787657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).