N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]butanamide

C19H30N2O2 — CID 112503869

IUPACN-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]butanamide
SMILESCCCC(=O)NCC(c1ccc(OCC)cc1)N1CCCCC1
InChIInChI=1S/C19H30N2O2/c1-3-8-19(22)20-15-18(21-13-6-5-7-14-21)16-9-11-17(12-10-16)23-4-2/h9-12,18H,3-8,13-15H2,1-2H3,(H,20,22)
InChIKeyPLBRRJMCIYNHQN-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.53
Rot. Bonds8

About N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]butanamide

N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]butanamide (PubChem CID 112503869) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]butanamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]butanamide
PubChem CID112503869
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]butanamide
SMILESCCCC(=O)NCC(c1ccc(OCC)cc1)N1CCCCC1
InChIInChI=1S/C19H30N2O2/c1-3-8-19(22)20-15-18(21-13-6-5-7-14-21)16-9-11-17(12-10-16)23-4-2/h9-12,18H,3-8,13-15H2,1-2H3,(H,20,22)
InChIKeyPLBRRJMCIYNHQN-UHFFFAOYSA-N
XLogP3.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]propanamide
CID 110353409
N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 112503867
2-(4-ethoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 46529074
4-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide
CID 55328450
3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,1-dimethylurea
CID 112503903
N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 112503446
2-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 112506627
N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 112503883
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 27771241
N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110621715
1-benzyl-3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]urea
CID 110353410
N-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide
CID 35574265

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]butanamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]butanamide (CID 112503869) is N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]butanamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]butanamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]butanamide is CCCC(=O)NCC(c1ccc(OCC)cc1)N1CCCCC1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]butanamide?
The InChIKey is PLBRRJMCIYNHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-3-8-19(22)20-15-18(21-13-6-5-7-14-21)16-9-11-17(12-10-16)23-4-2/h9-12,18H,3-8,13-15H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]butanamide?
N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]butanamide has a molecular weight of 318.46 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]butanamide is sourced from PubChem (CID 112503869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).