3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide

C18H28N2O4 — CID 119808136

IUPAC3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide
SMILESCOc1cc(OC)c(OC)cc1NC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C18H28N2O4/c1-12(13-5-7-19-8-6-13)9-18(21)20-14-10-16(23-3)17(24-4)11-15(14)22-2/h10-13,19H,5-9H2,1-4H3,(H,20,21)
InChIKeyUEKUMTVQCWUUSU-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.68
Rot. Bonds7

About 3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide

3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide (PubChem CID 119808136) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide.

Molecular Properties

Compound Name3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide
PubChem CID119808136
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide
SMILESCOc1cc(OC)c(OC)cc1NC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C18H28N2O4/c1-12(13-5-7-19-8-6-13)9-18(21)20-14-10-16(23-3)17(24-4)11-15(14)22-2/h10-13,19H,5-9H2,1-4H3,(H,20,21)
InChIKeyUEKUMTVQCWUUSU-UHFFFAOYSA-N
XLogP2.68
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119674855
N-(2-acetamido-4,5-difluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119757485
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119717532
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119744029
N-(4-iodo-2-methylphenyl)-3-piperidin-4-ylbutanamide
CID 119672088
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide
CID 119673990
3-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide
CID 119743545
N-cyclopropyl-5-methoxy-2-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride
CID 119778203
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385
N-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673449
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673989
N-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119757165

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide?
The IUPAC name of 3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide (CID 119808136) is 3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide.
What is the SMILES notation for 3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide?
The canonical SMILES for 3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide is COc1cc(OC)c(OC)cc1NC(=O)CC(C)C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide?
The InChIKey is UEKUMTVQCWUUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-12(13-5-7-19-8-6-13)9-18(21)20-14-10-16(23-3)17(24-4)11-15(14)22-2/h10-13,19H,5-9H2,1-4H3,(H,20,21).
What are the key properties of 3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide?
3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide has a molecular weight of 336.43 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide is sourced from PubChem (CID 119808136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).