N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride

C19H26ClN3O2S — CID 119713316

IUPACN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCOc1ccccc1-c1csc(NC(=O)CC(C)C2CCCNC2)n1.Cl
InChIInChI=1S/C19H25N3O2S.ClH/c1-13(14-6-5-9-20-11-14)10-18(23)22-19-21-16(12-25-19)15-7-3-4-8-17(15)24-2;/h3-4,7-8,12-14,20H,5-6,9-11H2,1-2H3,(H,21,22,23);1H
InChIKeyIPJXANFLARSERE-UHFFFAOYSA-N
MW395.96 g/mol
LogP4.20
Rot. Bonds6

About N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119713316) has the molecular formula C19H26ClN3O2S and a molecular weight of 395.96 g/mol. Its IUPAC name is N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119713316
Molecular FormulaC19H26ClN3O2S
Molecular Weight395.96 g/mol
Exact Mass395.14
IUPAC NameN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCOc1ccccc1-c1csc(NC(=O)CC(C)C2CCCNC2)n1.Cl
InChIInChI=1S/C19H25N3O2S.ClH/c1-13(14-6-5-9-20-11-14)10-18(23)22-19-21-16(12-25-19)15-7-3-4-8-17(15)24-2;/h3-4,7-8,12-14,20H,5-6,9-11H2,1-2H3,(H,21,22,23);1H
InChIKeyIPJXANFLARSERE-UHFFFAOYSA-N
XLogP4.20
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.96
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-phenyl-1,3-thiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670223
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide
CID 119676255
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-3-piperidin-4-ylbutanamide
CID 119711409
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119696350
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide
CID 119677674
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372
N-[1-(2-methoxyphenyl)-3-methylbutyl]-3-piperidin-3-ylbutanamide
CID 119816785
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 81048441
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-piperidin-3-ylbutanamide
CID 119787157

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119713316) is N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride is COc1ccccc1-c1csc(NC(=O)CC(C)C2CCCNC2)n1.Cl.
What is the InChIKey of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is IPJXANFLARSERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S.ClH/c1-13(14-6-5-9-20-11-14)10-18(23)22-19-21-16(12-25-19)15-7-3-4-8-17(15)24-2;/h3-4,7-8,12-14,20H,5-6,9-11H2,1-2H3,(H,21,22,23);1H.
What are the key properties of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 395.96 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119713316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).