1-[(3-methoxyphenyl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one

C21H31N3O3 — CID 24791055

IUPAC1-[(3-methoxyphenyl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one
SMILESCOc1cccc(CN2CC(C(=O)N3CCN(C(C)C)CC3)CCC2=O)c1
InChIInChI=1S/C21H31N3O3/c1-16(2)22-9-11-23(12-10-22)21(26)18-7-8-20(25)24(15-18)14-17-5-4-6-19(13-17)27-3/h4-6,13,16,18H,7-12,14-15H2,1-3H3
InChIKeyJGHCDWTUNDPHLL-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.99
Rot. Bonds5

About 1-[(3-methoxyphenyl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one

1-[(3-methoxyphenyl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one (PubChem CID 24791055) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one
PubChem CID24791055
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name1-[(3-methoxyphenyl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one
SMILESCOc1cccc(CN2CC(C(=O)N3CCN(C(C)C)CC3)CCC2=O)c1
InChIInChI=1S/C21H31N3O3/c1-16(2)22-9-11-23(12-10-22)21(26)18-7-8-20(25)24(15-18)14-17-5-4-6-19(13-17)27-3/h4-6,13,16,18H,7-12,14-15H2,1-3H3
InChIKeyJGHCDWTUNDPHLL-UHFFFAOYSA-N
XLogP1.99
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one (CID 24791055) is 1-[(3-methoxyphenyl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one is COc1cccc(CN2CC(C(=O)N3CCN(C(C)C)CC3)CCC2=O)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one?
The InChIKey is JGHCDWTUNDPHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-16(2)22-9-11-23(12-10-22)21(26)18-7-8-20(25)24(15-18)14-17-5-4-6-19(13-17)27-3/h4-6,13,16,18H,7-12,14-15H2,1-3H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one?
1-[(3-methoxyphenyl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one has a molecular weight of 373.50 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 24791055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).