N-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide

C18H28N2O3 — CID 119708893

IUPACN-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
SMILESCOc1cccc(CNC(=O)CC(C)C2CCNCC2)c1OC
InChIInChI=1S/C18H28N2O3/c1-13(14-7-9-19-10-8-14)11-17(21)20-12-15-5-4-6-16(22-2)18(15)23-3/h4-6,13-14,19H,7-12H2,1-3H3,(H,20,21)
InChIKeySYYKKEXTGZFVQJ-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.35
Rot. Bonds7

About N-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide

N-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide (PubChem CID 119708893) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
PubChem CID119708893
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
SMILESCOc1cccc(CNC(=O)CC(C)C2CCNCC2)c1OC
InChIInChI=1S/C18H28N2O3/c1-13(14-7-9-19-10-8-14)11-17(21)20-12-15-5-4-6-16(22-2)18(15)23-3/h4-6,13-14,19H,7-12H2,1-3H3,(H,20,21)
InChIKeySYYKKEXTGZFVQJ-UHFFFAOYSA-N
XLogP2.35
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119784711
N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675421
N-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119739883
N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119674855
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 81048441
N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119730501
N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119892786
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119869671
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119776288
2-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]acetamide
CID 46590599
N-[[4-(methoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718138
N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722521

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide (CID 119708893) is N-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide is COc1cccc(CNC(=O)CC(C)C2CCNCC2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide?
The InChIKey is SYYKKEXTGZFVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(14-7-9-19-10-8-14)11-17(21)20-12-15-5-4-6-16(22-2)18(15)23-3/h4-6,13-14,19H,7-12H2,1-3H3,(H,20,21).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide?
N-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide has a molecular weight of 320.43 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119708893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).