N-ethyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride

C16H27ClN2OS — CID 119690004

IUPACN-ethyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
SMILESCCN(Cc1cccs1)C(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C16H26N2OS.ClH/c1-3-18(12-15-5-4-10-20-15)16(19)11-13(2)14-6-8-17-9-7-14;/h4-5,10,13-14,17H,3,6-9,11-12H2,1-2H3;1H
InChIKeyINOPXRJOLUCSKL-UHFFFAOYSA-N
MW330.93 g/mol
LogP3.54
Rot. Bonds6

About N-ethyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride

N-ethyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride (PubChem CID 119690004) has the molecular formula C16H27ClN2OS and a molecular weight of 330.93 g/mol. Its IUPAC name is N-ethyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
PubChem CID119690004
Molecular FormulaC16H27ClN2OS
Molecular Weight330.93 g/mol
Exact Mass330.15
IUPAC NameN-ethyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
SMILESCCN(Cc1cccs1)C(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C16H26N2OS.ClH/c1-3-18(12-15-5-4-10-20-15)16(19)11-13(2)14-6-8-17-9-7-14;/h4-5,10,13-14,17H,3,6-9,11-12H2,1-2H3;1H
InChIKeyINOPXRJOLUCSKL-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.93
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119688269
N-ethyl-2-piperazin-1-yl-N-(thiophen-2-ylmethyl)acetamide
CID 60939844
N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)-3-piperidin-4-ylbutanamide
CID 119816685
4-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 81087639
N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119271762
N-ethyl-N-(2-methylbutyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119816159
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119685027
N-ethyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119271520
N-(2-methyl-3-thiophen-2-ylpropyl)-3-piperidin-4-ylbutanamide
CID 119804198
1-(3-piperidin-4-ylbutanoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119757737
2-(cyclopropylmethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119689999
N-ethyl-2-morpholin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 66427854

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride?
The IUPAC name of N-ethyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride (CID 119690004) is N-ethyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride.
What is the SMILES notation for N-ethyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride?
The canonical SMILES for N-ethyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride is CCN(Cc1cccs1)C(=O)CC(C)C1CCNCC1.Cl.
What is the InChIKey of N-ethyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride?
The InChIKey is INOPXRJOLUCSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS.ClH/c1-3-18(12-15-5-4-10-20-15)16(19)11-13(2)14-6-8-17-9-7-14;/h4-5,10,13-14,17H,3,6-9,11-12H2,1-2H3;1H.
What are the key properties of N-ethyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride?
N-ethyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride has a molecular weight of 330.93 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride is sourced from PubChem (CID 119690004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).