3-[1-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide

C17H29ClN4O2S — CID 42513054

IUPAC3-[1-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCC1CCN(Cc2sc(N(C)C)nc2Cl)CC1
InChIInChI=1S/C17H29ClN4O2S/c1-21(2)17-20-16(18)14(25-17)12-22-9-6-13(7-10-22)4-5-15(23)19-8-11-24-3/h13H,4-12H2,1-3H3,(H,19,23)
InChIKeyNEPKBGDDVCCAKE-UHFFFAOYSA-N
MW388.97 g/mol
LogP2.62
Rot. Bonds9

About 3-[1-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide

3-[1-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 42513054) has the molecular formula C17H29ClN4O2S and a molecular weight of 388.97 g/mol. Its IUPAC name is 3-[1-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[1-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
PubChem CID42513054
Molecular FormulaC17H29ClN4O2S
Molecular Weight388.97 g/mol
Exact Mass388.17
IUPAC Name3-[1-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCC1CCN(Cc2sc(N(C)C)nc2Cl)CC1
InChIInChI=1S/C17H29ClN4O2S/c1-21(2)17-20-16(18)14(25-17)12-22-9-6-13(7-10-22)4-5-15(23)19-8-11-24-3/h13H,4-12H2,1-3H3,(H,19,23)
InChIKeyNEPKBGDDVCCAKE-UHFFFAOYSA-N
XLogP2.62
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.97
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 56704613
3-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 25381997
N-(2-methoxyethyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide
CID 42532364
N-(2-methoxyethyl)-3-[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]propanamide
CID 45216292
2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 80692696
N-(2-methoxyethyl)-3-[1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-yl]propanamide
CID 26394300
3-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 25448651
N-[2-(dimethylamino)ethyl]-3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide
CID 25481539
3-[(3S,4R)-1-[(3-chlorophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]-N-(2-methoxyethyl)propanamide
CID 42382097
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide
CID 115738482
N-(2-methoxyethyl)-3-[1-[4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]propanamide
CID 23723475
N-(2-methoxyethyl)-3-[1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]propanamide
CID 42557895

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[1-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide (CID 42513054) is 3-[1-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[1-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[1-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCC1CCN(Cc2sc(N(C)C)nc2Cl)CC1.
What is the InChIKey of 3-[1-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is NEPKBGDDVCCAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN4O2S/c1-21(2)17-20-16(18)14(25-17)12-22-9-6-13(7-10-22)4-5-15(23)19-8-11-24-3/h13H,4-12H2,1-3H3,(H,19,23).
What are the key properties of 3-[1-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
3-[1-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 388.97 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 42513054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).