3-amino-2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide

C23H31N3O — CID 119844935

IUPAC3-amino-2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide
SMILESCC(C(=O)Nc1ccc(CN2CCCCC2C)cc1)C(N)c1ccccc1
InChIInChI=1S/C23H31N3O/c1-17-8-6-7-15-26(17)16-19-11-13-21(14-12-19)25-23(27)18(2)22(24)20-9-4-3-5-10-20/h3-5,9-14,17-18,22H,6-8,15-16,24H2,1-2H3,(H,25,27)
InChIKeyKUKFMOXPYXAXCX-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.34
Rot. Bonds6

About 3-amino-2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide

3-amino-2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide (PubChem CID 119844935) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide
PubChem CID119844935
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name3-amino-2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide
SMILESCC(C(=O)Nc1ccc(CN2CCCCC2C)cc1)C(N)c1ccccc1
InChIInChI=1S/C23H31N3O/c1-17-8-6-7-15-26(17)16-19-11-13-21(14-12-19)25-23(27)18(2)22(24)20-9-4-3-5-10-20/h3-5,9-14,17-18,22H,6-8,15-16,24H2,1-2H3,(H,25,27)
InChIKeyKUKFMOXPYXAXCX-UHFFFAOYSA-N
XLogP4.34
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide (CID 119844935) is 3-amino-2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide is CC(C(=O)Nc1ccc(CN2CCCCC2C)cc1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide?
The InChIKey is KUKFMOXPYXAXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-17-8-6-7-15-26(17)16-19-11-13-21(14-12-19)25-23(27)18(2)22(24)20-9-4-3-5-10-20/h3-5,9-14,17-18,22H,6-8,15-16,24H2,1-2H3,(H,25,27).
What are the key properties of 3-amino-2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide?
3-amino-2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide has a molecular weight of 365.52 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 119844935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).