2-(4-tert-butylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide

C19H30N2O2 — CID 119441988

IUPAC2-(4-tert-butylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)C1CCNCC1
InChIInChI=1S/C19H30N2O2/c1-14(18(22)21(5)16-10-12-20-13-11-16)23-17-8-6-15(7-9-17)19(2,3)4/h6-9,14,16,20H,10-13H2,1-5H3
InChIKeyIYWKPKKDMRQQOH-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.96
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide

2-(4-tert-butylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide (PubChem CID 119441988) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide
PubChem CID119441988
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-(4-tert-butylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)C1CCNCC1
InChIInChI=1S/C19H30N2O2/c1-14(18(22)21(5)16-10-12-20-13-11-16)23-17-8-6-15(7-9-17)19(2,3)4/h6-9,14,16,20H,10-13H2,1-5H3
InChIKeyIYWKPKKDMRQQOH-UHFFFAOYSA-N
XLogP2.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide (CID 119441988) is 2-(4-tert-butylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide is CC(Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)C1CCNCC1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide?
The InChIKey is IYWKPKKDMRQQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14(18(22)21(5)16-10-12-20-13-11-16)23-17-8-6-15(7-9-17)19(2,3)4/h6-9,14,16,20H,10-13H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide?
2-(4-tert-butylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide has a molecular weight of 318.46 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide is sourced from PubChem (CID 119441988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).