4-methyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide

C22H27N3O2 — CID 167912777

IUPAC4-methyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide
SMILESCc1ccc(C(=O)NC2CC(=O)N(C3CCN(C)CC3)C2)c2ccccc12
InChIInChI=1S/C22H27N3O2/c1-15-7-8-20(19-6-4-3-5-18(15)19)22(27)23-16-13-21(26)25(14-16)17-9-11-24(2)12-10-17/h3-8,16-17H,9-14H2,1-2H3,(H,23,27)
InChIKeyGDXSNCRZHIOCPE-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.57
Rot. Bonds3

About 4-methyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide

4-methyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide (PubChem CID 167912777) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-methyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide
PubChem CID167912777
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name4-methyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide
SMILESCc1ccc(C(=O)NC2CC(=O)N(C3CCN(C)CC3)C2)c2ccccc12
InChIInChI=1S/C22H27N3O2/c1-15-7-8-20(19-6-4-3-5-18(15)19)22(27)23-16-13-21(26)25(14-16)17-9-11-24(2)12-10-17/h3-8,16-17H,9-14H2,1-2H3,(H,23,27)
InChIKeyGDXSNCRZHIOCPE-UHFFFAOYSA-N
XLogP2.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide?
The IUPAC name of 4-methyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide (CID 167912777) is 4-methyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide?
The canonical SMILES for 4-methyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide is Cc1ccc(C(=O)NC2CC(=O)N(C3CCN(C)CC3)C2)c2ccccc12.
What is the InChIKey of 4-methyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide?
The InChIKey is GDXSNCRZHIOCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15-7-8-20(19-6-4-3-5-18(15)19)22(27)23-16-13-21(26)25(14-16)17-9-11-24(2)12-10-17/h3-8,16-17H,9-14H2,1-2H3,(H,23,27).
What are the key properties of 4-methyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide?
4-methyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 167912777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).