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

C18H28N2O3 — CID 119674855

IUPACN-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
SMILESCOc1ccc(CNC(=O)CC(C)C2CCNCC2)cc1OC
InChIInChI=1S/C18H28N2O3/c1-13(15-6-8-19-9-7-15)10-18(21)20-12-14-4-5-16(22-2)17(11-14)23-3/h4-5,11,13,15,19H,6-10,12H2,1-3H3,(H,20,21)
InChIKeyCNBYBMIHYMODIX-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.35
Rot. Bonds7

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

N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide (PubChem CID 119674855) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
PubChem CID119674855
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
SMILESCOc1ccc(CNC(=O)CC(C)C2CCNCC2)cc1OC
InChIInChI=1S/C18H28N2O3/c1-13(15-6-8-19-9-7-15)10-18(21)20-12-14-4-5-16(22-2)17(11-14)23-3/h4-5,11,13,15,19H,6-10,12H2,1-3H3,(H,20,21)
InChIKeyCNBYBMIHYMODIX-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-[3-(3,4-dimethoxyphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119754667
N-[[4-(methoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718138
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119731433
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714575
N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675421
N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119698471
N-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119708893
3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide
CID 119808136
3-amino-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 60836849
N-[(3-ethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119714483
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705625
3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119696658

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide (CID 119674855) is N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide is COc1ccc(CNC(=O)CC(C)C2CCNCC2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide?
The InChIKey is CNBYBMIHYMODIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(15-6-8-19-9-7-15)10-18(21)20-12-14-4-5-16(22-2)17(11-14)23-3/h4-5,11,13,15,19H,6-10,12H2,1-3H3,(H,20,21).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide?
N-[(3,4-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-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119674855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).