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

C21H29ClN2O2S — CID 119688269

IUPACN-(4-methoxyphenyl)-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
SMILESCOc1ccc(N(Cc2cccs2)C(=O)CC(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C21H28N2O2S.ClH/c1-16(17-9-11-22-12-10-17)14-21(24)23(15-20-4-3-13-26-20)18-5-7-19(25-2)8-6-18;/h3-8,13,16-17,22H,9-12,14-15H2,1-2H3;1H
InChIKeyHRWLQUNWALLMCE-UHFFFAOYSA-N
MW409.00 g/mol
LogP4.74
Rot. Bonds7

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

N-(4-methoxyphenyl)-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride (PubChem CID 119688269) has the molecular formula C21H29ClN2O2S and a molecular weight of 409.00 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
PubChem CID119688269
Molecular FormulaC21H29ClN2O2S
Molecular Weight409.00 g/mol
Exact Mass408.16
IUPAC NameN-(4-methoxyphenyl)-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
SMILESCOc1ccc(N(Cc2cccs2)C(=O)CC(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C21H28N2O2S.ClH/c1-16(17-9-11-22-12-10-17)14-21(24)23(15-20-4-3-13-26-20)18-5-7-19(25-2)8-6-18;/h3-8,13,16-17,22H,9-12,14-15H2,1-2H3;1H
InChIKeyHRWLQUNWALLMCE-UHFFFAOYSA-N
XLogP4.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.00
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119690004
N-(cyclopropylmethyl)-N-phenyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119810163
N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55757398
cis-(1R,2S)-2-[(4-methoxyphenyl)-(thiophen-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 129467519
[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 9347668
N-(2-methyl-3-thiophen-2-ylpropyl)-3-piperidin-4-ylbutanamide
CID 119804198
N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 134012847
N-(4-methoxyphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 25363216
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119685027
N-(4-methoxyphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8693164
N-(4-methoxyphenyl)-2-(3-methoxyphenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 35041458
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8788912

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride?
The IUPAC name of N-(4-methoxyphenyl)-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride (CID 119688269) is N-(4-methoxyphenyl)-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride.
What is the SMILES notation for N-(4-methoxyphenyl)-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride?
The canonical SMILES for N-(4-methoxyphenyl)-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride is COc1ccc(N(Cc2cccs2)C(=O)CC(C)C2CCNCC2)cc1.Cl.
What is the InChIKey of N-(4-methoxyphenyl)-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride?
The InChIKey is HRWLQUNWALLMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S.ClH/c1-16(17-9-11-22-12-10-17)14-21(24)23(15-20-4-3-13-26-20)18-5-7-19(25-2)8-6-18;/h3-8,13,16-17,22H,9-12,14-15H2,1-2H3;1H.
What are the key properties of N-(4-methoxyphenyl)-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride?
N-(4-methoxyphenyl)-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride has a molecular weight of 409.00 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride is sourced from PubChem (CID 119688269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).