N-methyl-N-(1-phenylethyl)-3-piperidin-4-yloxypropanamide

C17H26N2O2 — CID 63876681

IUPACN-methyl-N-(1-phenylethyl)-3-piperidin-4-yloxypropanamide
SMILESCC(c1ccccc1)N(C)C(=O)CCOC1CCNCC1
InChIInChI=1S/C17H26N2O2/c1-14(15-6-4-3-5-7-15)19(2)17(20)10-13-21-16-8-11-18-12-9-16/h3-7,14,16,18H,8-13H2,1-2H3
InChIKeyYDHPPHHSPUYCOJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.36
Rot. Bonds6

About N-methyl-N-(1-phenylethyl)-3-piperidin-4-yloxypropanamide

N-methyl-N-(1-phenylethyl)-3-piperidin-4-yloxypropanamide (PubChem CID 63876681) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-methyl-N-(1-phenylethyl)-3-piperidin-4-yloxypropanamide.

Molecular Properties

Compound NameN-methyl-N-(1-phenylethyl)-3-piperidin-4-yloxypropanamide
PubChem CID63876681
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-methyl-N-(1-phenylethyl)-3-piperidin-4-yloxypropanamide
SMILESCC(c1ccccc1)N(C)C(=O)CCOC1CCNCC1
InChIInChI=1S/C17H26N2O2/c1-14(15-6-4-3-5-7-15)19(2)17(20)10-13-21-16-8-11-18-12-9-16/h3-7,14,16,18H,8-13H2,1-2H3
InChIKeyYDHPPHHSPUYCOJ-UHFFFAOYSA-N
XLogP2.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-phenylethyl)-3-piperidin-4-yloxypropanamide?
The IUPAC name of N-methyl-N-(1-phenylethyl)-3-piperidin-4-yloxypropanamide (CID 63876681) is N-methyl-N-(1-phenylethyl)-3-piperidin-4-yloxypropanamide.
What is the SMILES notation for N-methyl-N-(1-phenylethyl)-3-piperidin-4-yloxypropanamide?
The canonical SMILES for N-methyl-N-(1-phenylethyl)-3-piperidin-4-yloxypropanamide is CC(c1ccccc1)N(C)C(=O)CCOC1CCNCC1.
What is the InChIKey of N-methyl-N-(1-phenylethyl)-3-piperidin-4-yloxypropanamide?
The InChIKey is YDHPPHHSPUYCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(15-6-4-3-5-7-15)19(2)17(20)10-13-21-16-8-11-18-12-9-16/h3-7,14,16,18H,8-13H2,1-2H3.
What are the key properties of N-methyl-N-(1-phenylethyl)-3-piperidin-4-yloxypropanamide?
N-methyl-N-(1-phenylethyl)-3-piperidin-4-yloxypropanamide has a molecular weight of 290.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-phenylethyl)-3-piperidin-4-yloxypropanamide is sourced from PubChem (CID 63876681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).