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

C21H29ClN4O2S — CID 45190861

IUPACN-(3-chloro-4-methoxyphenyl)-3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide
SMILESCOc1ccc(NC(=O)CCC2CCCN(Cc3cnc(N(C)C)s3)C2)cc1Cl
InChIInChI=1S/C21H29ClN4O2S/c1-25(2)21-23-12-17(29-21)14-26-10-4-5-15(13-26)6-9-20(27)24-16-7-8-19(28-3)18(22)11-16/h7-8,11-12,15H,4-6,9-10,13-14H2,1-3H3,(H,24,27)
InChIKeyGKLNHCWIUUAMMN-UHFFFAOYSA-N
MW437.01 g/mol
LogP4.50
Rot. Bonds8

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

N-(3-chloro-4-methoxyphenyl)-3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide (PubChem CID 45190861) has the molecular formula C21H29ClN4O2S and a molecular weight of 437.01 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide
PubChem CID45190861
Molecular FormulaC21H29ClN4O2S
Molecular Weight437.01 g/mol
Exact Mass436.17
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide
SMILESCOc1ccc(NC(=O)CCC2CCCN(Cc3cnc(N(C)C)s3)C2)cc1Cl
InChIInChI=1S/C21H29ClN4O2S/c1-25(2)21-23-12-17(29-21)14-26-10-4-5-15(13-26)6-9-20(27)24-16-7-8-19(28-3)18(22)11-16/h7-8,11-12,15H,4-6,9-10,13-14H2,1-3H3,(H,24,27)
InChIKeyGKLNHCWIUUAMMN-UHFFFAOYSA-N
XLogP4.50
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.01
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide
CID 42465188
methyl 4-[[(3R)-3-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]piperidin-1-yl]methyl]benzoate
CID 26323020
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide
CID 45234130
3-[(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
CID 42307306
3-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 45200156
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride
CID 120728314
N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide
CID 26322215
3-[(3S)-1-(2-acetylbenzoyl)piperidin-3-yl]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 25283405
3-[(3R)-1-(2-acetylbenzoyl)piperidin-3-yl]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 25283407
N-(3-chloro-4-methoxyphenyl)-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]propanamide
CID 45235853
N-(3-chloro-4-methoxyphenyl)-3-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-3-yl]propanamide
CID 45192904
N-(3-chloro-4-methoxyphenyl)-3-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanamide
CID 45243370

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide (CID 45190861) is N-(3-chloro-4-methoxyphenyl)-3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide is COc1ccc(NC(=O)CCC2CCCN(Cc3cnc(N(C)C)s3)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide?
The InChIKey is GKLNHCWIUUAMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4O2S/c1-25(2)21-23-12-17(29-21)14-26-10-4-5-15(13-26)6-9-20(27)24-16-7-8-19(28-3)18(22)11-16/h7-8,11-12,15H,4-6,9-10,13-14H2,1-3H3,(H,24,27).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide?
N-(3-chloro-4-methoxyphenyl)-3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide has a molecular weight of 437.01 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 45190861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).