N-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide

C19H30N2O2 — CID 119738443

IUPACN-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
SMILESCCOc1ccccc1CN(C)C(=O)CC(C)C1CCCNC1
InChIInChI=1S/C19H30N2O2/c1-4-23-18-10-6-5-8-17(18)14-21(3)19(22)12-15(2)16-9-7-11-20-13-16/h5-6,8,10,15-16,20H,4,7,9,11-14H2,1-3H3
InChIKeyOSXILWFGGHXDBV-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.07
Rot. Bonds7

About N-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide

N-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide (PubChem CID 119738443) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
PubChem CID119738443
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
SMILESCCOc1ccccc1CN(C)C(=O)CC(C)C1CCCNC1
InChIInChI=1S/C19H30N2O2/c1-4-23-18-10-6-5-8-17(18)14-21(3)19(22)12-15(2)16-9-7-11-20-13-16/h5-6,8,10,15-16,20H,4,7,9,11-14H2,1-3H3
InChIKeyOSXILWFGGHXDBV-UHFFFAOYSA-N
XLogP3.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119707667
N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 81049753
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119694366
N-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide
CID 119687832
N-methyl-N-(3-phenoxypropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119731938
N-[(2-ethoxyphenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 63005308
N-methyl-3-piperidin-3-yl-N-propylbutanamide
CID 81043827
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119685027
N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide
CID 119821444
N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119729700
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773757
N-(2-amino-2-oxoethyl)-N-methyl-3-piperidin-3-ylbutanamide
CID 81044730

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide (CID 119738443) is N-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide is CCOc1ccccc1CN(C)C(=O)CC(C)C1CCCNC1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide?
The InChIKey is OSXILWFGGHXDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-4-23-18-10-6-5-8-17(18)14-21(3)19(22)12-15(2)16-9-7-11-20-13-16/h5-6,8,10,15-16,20H,4,7,9,11-14H2,1-3H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide?
N-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide has a molecular weight of 318.46 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119738443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).