4-(2-phenylethoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide

C23H32N2O2S — CID 49056073

IUPAC4-(2-phenylethoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
SMILESO=C(CCCOCCc1ccccc1)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C23H32N2O2S/c26-23(9-4-15-27-16-12-20-6-2-1-3-7-20)24-18-21-10-13-25(14-11-21)19-22-8-5-17-28-22/h1-3,5-8,17,21H,4,9-16,18-19H2,(H,24,26)
InChIKeySSIFXEFZXHHQDQ-UHFFFAOYSA-N
MW400.59 g/mol
LogP4.12
Rot. Bonds11

About 4-(2-phenylethoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide

4-(2-phenylethoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide (PubChem CID 49056073) has the molecular formula C23H32N2O2S and a molecular weight of 400.59 g/mol. Its IUPAC name is 4-(2-phenylethoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide.

Molecular Properties

Compound Name4-(2-phenylethoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
PubChem CID49056073
Molecular FormulaC23H32N2O2S
Molecular Weight400.59 g/mol
Exact Mass400.22
IUPAC Name4-(2-phenylethoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
SMILESO=C(CCCOCCc1ccccc1)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C23H32N2O2S/c26-23(9-4-15-27-16-12-20-6-2-1-3-7-20)24-18-21-10-13-25(14-11-21)19-22-8-5-17-28-22/h1-3,5-8,17,21H,4,9-16,18-19H2,(H,24,26)
InChIKeySSIFXEFZXHHQDQ-UHFFFAOYSA-N
XLogP4.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(methylamino)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 119865435
4-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pentanamide
CID 49056824
2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 119865468
2-cyclopentyloxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49056121
2-(4-propoxyphenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49056925
N-(3-phenylpropyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 8720581
3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide
CID 49056484
(3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 94820546
(Z)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]but-2-enamide
CID 49056027
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 56561668
2-(5-methylthiophen-2-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49055900
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865422

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide?
The IUPAC name of 4-(2-phenylethoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide (CID 49056073) is 4-(2-phenylethoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide.
What is the SMILES notation for 4-(2-phenylethoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide?
The canonical SMILES for 4-(2-phenylethoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide is O=C(CCCOCCc1ccccc1)NCC1CCN(Cc2cccs2)CC1.
What is the InChIKey of 4-(2-phenylethoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide?
The InChIKey is SSIFXEFZXHHQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2S/c26-23(9-4-15-27-16-12-20-6-2-1-3-7-20)24-18-21-10-13-25(14-11-21)19-22-8-5-17-28-22/h1-3,5-8,17,21H,4,9-16,18-19H2,(H,24,26).
What are the key properties of 4-(2-phenylethoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide?
4-(2-phenylethoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide has a molecular weight of 400.59 g/mol, XLogP of 4.12, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide is sourced from PubChem (CID 49056073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).