N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride

C16H27ClN2OS — CID 119773757

IUPACN-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1ccc(CN(C)C(=O)CC(C)C2CCCNC2)s1.Cl
InChIInChI=1S/C16H26N2OS.ClH/c1-12(14-5-4-8-17-10-14)9-16(19)18(3)11-15-7-6-13(2)20-15;/h6-7,12,14,17H,4-5,8-11H2,1-3H3;1H
InChIKeyWDGUWNCFDJADIG-UHFFFAOYSA-N
MW330.93 g/mol
LogP3.46
Rot. Bonds5

About N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119773757) has the molecular formula C16H27ClN2OS and a molecular weight of 330.93 g/mol. Its IUPAC name is N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119773757
Molecular FormulaC16H27ClN2OS
Molecular Weight330.93 g/mol
Exact Mass330.15
IUPAC NameN-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1ccc(CN(C)C(=O)CC(C)C2CCCNC2)s1.Cl
InChIInChI=1S/C16H26N2OS.ClH/c1-12(14-5-4-8-17-10-14)9-16(19)18(3)11-15-7-6-13(2)20-15;/h6-7,12,14,17H,4-5,8-11H2,1-3H3;1H
InChIKeyWDGUWNCFDJADIG-UHFFFAOYSA-N
XLogP3.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.93
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 81049753
N-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119707667
N-methyl-N-[(4-methylsulfinylphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119807774
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119697247
N-methyl-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81043828
N-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide
CID 119687832
N-methyl-3-piperidin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119717349
N-methyl-3-piperidin-3-yl-N-propylbutanamide
CID 81043827
N-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119738443
N-butyl-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119672315
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119727174
N-(3,5-dimethylphenyl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743630

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119773757) is N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride is Cc1ccc(CN(C)C(=O)CC(C)C2CCCNC2)s1.Cl.
What is the InChIKey of N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is WDGUWNCFDJADIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS.ClH/c1-12(14-5-4-8-17-10-14)9-16(19)18(3)11-15-7-6-13(2)20-15;/h6-7,12,14,17H,4-5,8-11H2,1-3H3;1H.
What are the key properties of N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 330.93 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119773757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).