3-acetamido-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-thiophen-2-ylpropanamide

C24H33N3O2S — CID 47042062

IUPAC3-acetamido-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)NCc1ccc(CN2CC(C)CC(C)C2)cc1)c1cccs1
InChIInChI=1S/C24H33N3O2S/c1-17-11-18(2)15-27(14-17)16-21-8-6-20(7-9-21)13-25-24(29)12-22(26-19(3)28)23-5-4-10-30-23/h4-10,17-18,22H,11-16H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyHXEBVYNIIOWXIV-UHFFFAOYSA-N
MW427.61 g/mol
LogP4.11
Rot. Bonds8

About 3-acetamido-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-thiophen-2-ylpropanamide

3-acetamido-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-thiophen-2-ylpropanamide (PubChem CID 47042062) has the molecular formula C24H33N3O2S and a molecular weight of 427.61 g/mol. Its IUPAC name is 3-acetamido-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-thiophen-2-ylpropanamide
PubChem CID47042062
Molecular FormulaC24H33N3O2S
Molecular Weight427.61 g/mol
Exact Mass427.23
IUPAC Name3-acetamido-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)NCc1ccc(CN2CC(C)CC(C)C2)cc1)c1cccs1
InChIInChI=1S/C24H33N3O2S/c1-17-11-18(2)15-27(14-17)16-21-8-6-20(7-9-21)13-25-24(29)12-22(26-19(3)28)23-5-4-10-30-23/h4-10,17-18,22H,11-16H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyHXEBVYNIIOWXIV-UHFFFAOYSA-N
XLogP4.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.61
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 42933436
(3R)-3-acetamido-3-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 41435480
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
3-acetamido-N-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropanamide
CID 42931061
3-acetamido-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-thiophen-2-ylpropanamide
CID 46568476
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-4-phenylbutanamide
CID 55742680
3-acetamido-N-(1-benzothiophen-3-ylmethyl)-3-thiophen-2-ylpropanamide
CID 71894859
3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide
CID 114618717
N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide
CID 43039868
(3R)-3-acetamido-N-(isoquinolin-1-ylmethyl)-3-thiophen-2-ylpropanamide
CID 26072257
N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide
CID 26458271
(2S)-4-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-2-hydroxybutanoic acid
CID 107833913

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-thiophen-2-ylpropanamide (CID 47042062) is 3-acetamido-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-thiophen-2-ylpropanamide is CC(=O)NC(CC(=O)NCc1ccc(CN2CC(C)CC(C)C2)cc1)c1cccs1.
What is the InChIKey of 3-acetamido-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-thiophen-2-ylpropanamide?
The InChIKey is HXEBVYNIIOWXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2S/c1-17-11-18(2)15-27(14-17)16-21-8-6-20(7-9-21)13-25-24(29)12-22(26-19(3)28)23-5-4-10-30-23/h4-10,17-18,22H,11-16H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of 3-acetamido-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-thiophen-2-ylpropanamide?
3-acetamido-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-thiophen-2-ylpropanamide has a molecular weight of 427.61 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 47042062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).