N-[4-(methoxymethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-yl]-N-phenylpropanamide

C23H31N3O2 — CID 14879896

IUPACN-[4-(methoxymethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccnc2)CC1
InChIInChI=1S/C23H31N3O2/c1-3-22(27)26(21-9-5-4-6-10-21)23(19-28-2)12-16-25(17-13-23)15-11-20-8-7-14-24-18-20/h4-10,14,18H,3,11-13,15-17,19H2,1-2H3
InChIKeyZHZHTNWLGKSNLB-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.55
Rot. Bonds8

About N-[4-(methoxymethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-yl]-N-phenylpropanamide

N-[4-(methoxymethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 14879896) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[4-(methoxymethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(methoxymethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID14879896
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[4-(methoxymethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccnc2)CC1
InChIInChI=1S/C23H31N3O2/c1-3-22(27)26(21-9-5-4-6-10-21)23(19-28-2)12-16-25(17-13-23)15-11-20-8-7-14-24-18-20/h4-10,14,18H,3,11-13,15-17,19H2,1-2H3
InChIKeyZHZHTNWLGKSNLB-UHFFFAOYSA-N
XLogP3.55
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methoxymethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[4-(methoxymethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-yl]-N-phenylpropanamide (CID 14879896) is N-[4-(methoxymethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[4-(methoxymethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[4-(methoxymethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccnc2)CC1.
What is the InChIKey of N-[4-(methoxymethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is ZHZHTNWLGKSNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-3-22(27)26(21-9-5-4-6-10-21)23(19-28-2)12-16-25(17-13-23)15-11-20-8-7-14-24-18-20/h4-10,14,18H,3,11-13,15-17,19H2,1-2H3.
What are the key properties of N-[4-(methoxymethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
N-[4-(methoxymethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 381.52 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methoxymethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 14879896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).