2-methyl-N-[2-[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]-2-oxoethyl]propanamide

C20H31N3O2 — CID 56916490

IUPAC2-methyl-N-[2-[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]-2-oxoethyl]propanamide
SMILESCC(C)C(=O)NCC(=O)N(C)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C20H31N3O2/c1-16(2)20(25)21-14-19(24)22(3)18-10-7-12-23(15-18)13-11-17-8-5-4-6-9-17/h4-6,8-9,16,18H,7,10-15H2,1-3H3,(H,21,25)
InChIKeyZQIHZJGAZBTBAO-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.92
Rot. Bonds7

About 2-methyl-N-[2-[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]-2-oxoethyl]propanamide

2-methyl-N-[2-[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]-2-oxoethyl]propanamide (PubChem CID 56916490) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-methyl-N-[2-[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]-2-oxoethyl]propanamide
PubChem CID56916490
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-methyl-N-[2-[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]-2-oxoethyl]propanamide
SMILESCC(C)C(=O)NCC(=O)N(C)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C20H31N3O2/c1-16(2)20(25)21-14-19(24)22(3)18-10-7-12-23(15-18)13-11-17-8-5-4-6-9-17/h4-6,8-9,16,18H,7,10-15H2,1-3H3,(H,21,25)
InChIKeyZQIHZJGAZBTBAO-UHFFFAOYSA-N
XLogP1.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]-2-oxoethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]-2-oxoethyl]propanamide (CID 56916490) is 2-methyl-N-[2-[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]-2-oxoethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]-2-oxoethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]-2-oxoethyl]propanamide is CC(C)C(=O)NCC(=O)N(C)C1CCCN(CCc2ccccc2)C1.
What is the InChIKey of 2-methyl-N-[2-[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]-2-oxoethyl]propanamide?
The InChIKey is ZQIHZJGAZBTBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-16(2)20(25)21-14-19(24)22(3)18-10-7-12-23(15-18)13-11-17-8-5-4-6-9-17/h4-6,8-9,16,18H,7,10-15H2,1-3H3,(H,21,25).
What are the key properties of 2-methyl-N-[2-[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]-2-oxoethyl]propanamide?
2-methyl-N-[2-[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]-2-oxoethyl]propanamide has a molecular weight of 345.49 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 56916490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).