N-ethyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylpropanamide

C15H28N2O2 — CID 55048022

IUPACN-ethyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylpropanamide
SMILESCCN(CC1CCCO1)C(=O)CCC1CCNCC1
InChIInChI=1S/C15H28N2O2/c1-2-17(12-14-4-3-11-19-14)15(18)6-5-13-7-9-16-10-8-13/h13-14,16H,2-12H2,1H3
InChIKeyPTJJMFUPTIEAMW-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds6

About N-ethyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylpropanamide

N-ethyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylpropanamide (PubChem CID 55048022) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-ethyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylpropanamide
PubChem CID55048022
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-ethyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylpropanamide
SMILESCCN(CC1CCCO1)C(=O)CCC1CCNCC1
InChIInChI=1S/C15H28N2O2/c1-2-17(12-14-4-3-11-19-14)15(18)6-5-13-7-9-16-10-8-13/h13-14,16H,2-12H2,1H3
InChIKeyPTJJMFUPTIEAMW-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylpropanamide?
The IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylpropanamide (CID 55048022) is N-ethyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-ethyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-ethyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylpropanamide is CCN(CC1CCCO1)C(=O)CCC1CCNCC1.
What is the InChIKey of N-ethyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylpropanamide?
The InChIKey is PTJJMFUPTIEAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-17(12-14-4-3-11-19-14)15(18)6-5-13-7-9-16-10-8-13/h13-14,16H,2-12H2,1H3.
What are the key properties of N-ethyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylpropanamide?
N-ethyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylpropanamide has a molecular weight of 268.40 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 55048022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).