N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-piperidin-3-ylbutanamide;hydrochloride

C20H26Cl2N2OS — CID 119736178

IUPACN-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NC(c1ccc(Cl)cc1)c1cccs1)C1CCCNC1.Cl
InChIInChI=1S/C20H25ClN2OS.ClH/c1-14(16-4-2-10-22-13-16)12-19(24)23-20(18-5-3-11-25-18)15-6-8-17(21)9-7-15;/h3,5-9,11,14,16,20,22H,2,4,10,12-13H2,1H3,(H,23,24);1H
InChIKeyWMMBJYKMDCEGRP-UHFFFAOYSA-N
MW413.41 g/mol
LogP5.05
Rot. Bonds6

About N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119736178) has the molecular formula C20H26Cl2N2OS and a molecular weight of 413.41 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119736178
Molecular FormulaC20H26Cl2N2OS
Molecular Weight413.41 g/mol
Exact Mass412.11
IUPAC NameN-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NC(c1ccc(Cl)cc1)c1cccs1)C1CCCNC1.Cl
InChIInChI=1S/C20H25ClN2OS.ClH/c1-14(16-4-2-10-22-13-16)12-19(24)23-20(18-5-3-11-25-18)15-6-8-17(21)9-7-15;/h3,5-9,11,14,16,20,22H,2,4,10,12-13H2,1H3,(H,23,24);1H
InChIKeyWMMBJYKMDCEGRP-UHFFFAOYSA-N
XLogP5.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.41
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride
CID 119687075
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119745659
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119736196
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119716767
N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119686367
N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119757975
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-3-ylbutanamide
CID 119815265
N-(2-methyl-2-thiophen-2-ylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119787657
N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716485
N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119805763

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119736178) is N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)NC(c1ccc(Cl)cc1)c1cccs1)C1CCCNC1.Cl.
What is the InChIKey of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is WMMBJYKMDCEGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2OS.ClH/c1-14(16-4-2-10-22-13-16)12-19(24)23-20(18-5-3-11-25-18)15-6-8-17(21)9-7-15;/h3,5-9,11,14,16,20,22H,2,4,10,12-13H2,1H3,(H,23,24);1H.
What are the key properties of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 413.41 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119736178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).