N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-piperidin-4-ylbutanamide

C22H30N2O2S — CID 119821292

IUPACN-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)N(Cc1ccccc1)CC(O)c1ccsc1)C1CCNCC1
InChIInChI=1S/C22H30N2O2S/c1-17(19-7-10-23-11-8-19)13-22(26)24(14-18-5-3-2-4-6-18)15-21(25)20-9-12-27-16-20/h2-6,9,12,16-17,19,21,23,25H,7-8,10-11,13-15H2,1H3
InChIKeyUURQXMFQYBMGHP-UHFFFAOYSA-N
MW386.56 g/mol
LogP3.84
Rot. Bonds8

About N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-piperidin-4-ylbutanamide

N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-piperidin-4-ylbutanamide (PubChem CID 119821292) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-piperidin-4-ylbutanamide
PubChem CID119821292
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC NameN-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)N(Cc1ccccc1)CC(O)c1ccsc1)C1CCNCC1
InChIInChI=1S/C22H30N2O2S/c1-17(19-7-10-23-11-8-19)13-22(26)24(14-18-5-3-2-4-6-18)15-21(25)20-9-12-27-16-20/h2-6,9,12,16-17,19,21,23,25H,7-8,10-11,13-15H2,1H3
InChIKeyUURQXMFQYBMGHP-UHFFFAOYSA-N
XLogP3.84
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)-3-piperidin-4-ylbutanamide
CID 119816685
N-(2-amino-2-oxoethyl)-N-benzyl-3-piperidin-4-ylbutanamide
CID 119783037
N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119821295
N-benzyl-N-(cyclobutylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119752557
N-benzyl-1-cyclopropyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]pyrrole-2-carboxamide
CID 97340977
N-benzyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide
CID 119747376
N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methyl-3-(methylamino)propanamide
CID 119821290
N-benzyl-3,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 71854734
N-ethyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119690004
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119719399
N-ethyl-N-(2-methylpropyl)-3-piperidin-4-ylbutanamide
CID 119732319
N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676987

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-piperidin-4-ylbutanamide?
The IUPAC name of N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-piperidin-4-ylbutanamide (CID 119821292) is N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-piperidin-4-ylbutanamide is CC(CC(=O)N(Cc1ccccc1)CC(O)c1ccsc1)C1CCNCC1.
What is the InChIKey of N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-piperidin-4-ylbutanamide?
The InChIKey is UURQXMFQYBMGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-17(19-7-10-23-11-8-19)13-22(26)24(14-18-5-3-2-4-6-18)15-21(25)20-9-12-27-16-20/h2-6,9,12,16-17,19,21,23,25H,7-8,10-11,13-15H2,1H3.
What are the key properties of N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-piperidin-4-ylbutanamide?
N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-piperidin-4-ylbutanamide has a molecular weight of 386.56 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119821292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).