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

C17H28N2O2S — CID 95149836

IUPAC(2R)-2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
SMILESCCO[C@H](CC)C(=O)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C17H28N2O2S/c1-3-16(21-4-2)17(20)18-12-14-7-9-19(10-8-14)13-15-6-5-11-22-15/h5-6,11,14,16H,3-4,7-10,12-13H2,1-2H3,(H,18,20)/t16-/m1/s1
InChIKeyULHQHEXNPSBBFV-MRXNPFEDSA-N
MW324.49 g/mol
LogP2.89
Rot. Bonds8

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

(2R)-2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide (PubChem CID 95149836) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is (2R)-2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
PubChem CID95149836
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Name(2R)-2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
SMILESCCO[C@H](CC)C(=O)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C17H28N2O2S/c1-3-16(21-4-2)17(20)18-12-14-7-9-19(10-8-14)13-15-6-5-11-22-15/h5-6,11,14,16H,3-4,7-10,12-13H2,1-2H3,(H,18,20)/t16-/m1/s1
InChIKeyULHQHEXNPSBBFV-MRXNPFEDSA-N
XLogP2.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-oxo-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]propan-2-yl]thiophene-2-carboxamide
CID 49056517
2-amino-2-(4-methylphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 120669950
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
(3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 94820546
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865422
2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanediamide
CID 48964508
ethyl 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetate
CID 10849452
ethyl 4-[N'-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111163658
4-(methylamino)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 119865435
(Z)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]but-2-enamide
CID 49056027
(2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide
CID 95318380

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide?
The IUPAC name of (2R)-2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide (CID 95149836) is (2R)-2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide.
What is the SMILES notation for (2R)-2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide?
The canonical SMILES for (2R)-2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide is CCO[C@H](CC)C(=O)NCC1CCN(Cc2cccs2)CC1.
What is the InChIKey of (2R)-2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide?
The InChIKey is ULHQHEXNPSBBFV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-3-16(21-4-2)17(20)18-12-14-7-9-19(10-8-14)13-15-6-5-11-22-15/h5-6,11,14,16H,3-4,7-10,12-13H2,1-2H3,(H,18,20)/t16-/m1/s1.
What are the key properties of (2R)-2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide?
(2R)-2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide has a molecular weight of 324.49 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide is sourced from PubChem (CID 95149836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).