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

C23H37N3O2 — CID 169090887

IUPACN-[4-(methoxymethyl)-1-(2-piperidin-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCN(CCN2CCCCC2)CC1
InChIInChI=1S/C23H37N3O2/c1-3-22(27)26(21-10-6-4-7-11-21)23(20-28-2)12-16-25(17-13-23)19-18-24-14-8-5-9-15-24/h4,6-7,10-11H,3,5,8-9,12-20H2,1-2H3
InChIKeyQGABZMJRRMMFOL-UHFFFAOYSA-N
MW387.57 g/mol
LogP3.40
Rot. Bonds8

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

N-[4-(methoxymethyl)-1-(2-piperidin-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 169090887) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is N-[4-(methoxymethyl)-1-(2-piperidin-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(methoxymethyl)-1-(2-piperidin-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID169090887
Molecular FormulaC23H37N3O2
Molecular Weight387.57 g/mol
Exact Mass387.29
IUPAC NameN-[4-(methoxymethyl)-1-(2-piperidin-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCN(CCN2CCCCC2)CC1
InChIInChI=1S/C23H37N3O2/c1-3-22(27)26(21-10-6-4-7-11-21)23(20-28-2)12-16-25(17-13-23)19-18-24-14-8-5-9-15-24/h4,6-7,10-11H,3,5,8-9,12-20H2,1-2H3
InChIKeyQGABZMJRRMMFOL-UHFFFAOYSA-N
XLogP3.40
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 53.40
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-piperidin-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[4-(methoxymethyl)-1-(2-piperidin-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide (CID 169090887) is N-[4-(methoxymethyl)-1-(2-piperidin-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[4-(methoxymethyl)-1-(2-piperidin-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[4-(methoxymethyl)-1-(2-piperidin-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1(COC)CCN(CCN2CCCCC2)CC1.
What is the InChIKey of N-[4-(methoxymethyl)-1-(2-piperidin-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is QGABZMJRRMMFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2/c1-3-22(27)26(21-10-6-4-7-11-21)23(20-28-2)12-16-25(17-13-23)19-18-24-14-8-5-9-15-24/h4,6-7,10-11H,3,5,8-9,12-20H2,1-2H3.
What are the key properties of N-[4-(methoxymethyl)-1-(2-piperidin-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
N-[4-(methoxymethyl)-1-(2-piperidin-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 387.57 g/mol, XLogP of 3.40, 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-piperidin-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 169090887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).