N-[(4-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide

C21H31N3O3 — CID 24793244

IUPACN-[(4-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(=O)N(CCCN3CCOCC3)C2)cc1
InChIInChI=1S/C21H31N3O3/c1-17-3-5-18(6-4-17)15-22-21(26)19-7-8-20(25)24(16-19)10-2-9-23-11-13-27-14-12-23/h3-6,19H,2,7-16H2,1H3,(H,22,26)
InChIKeyRNCZOMGLXSVSFD-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.57
Rot. Bonds7

About N-[(4-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide

N-[(4-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 24793244) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
PubChem CID24793244
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-[(4-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(=O)N(CCCN3CCOCC3)C2)cc1
InChIInChI=1S/C21H31N3O3/c1-17-3-5-18(6-4-17)15-22-21(26)19-7-8-20(25)24(16-19)10-2-9-23-11-13-27-14-12-23/h3-6,19H,2,7-16H2,1H3,(H,22,26)
InChIKeyRNCZOMGLXSVSFD-UHFFFAOYSA-N
XLogP1.57
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide (CID 24793244) is N-[(4-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide is Cc1ccc(CNC(=O)C2CCC(=O)N(CCCN3CCOCC3)C2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is RNCZOMGLXSVSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-17-3-5-18(6-4-17)15-22-21(26)19-7-8-20(25)24(16-19)10-2-9-23-11-13-27-14-12-23/h3-6,19H,2,7-16H2,1H3,(H,22,26).
What are the key properties of N-[(4-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
N-[(4-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24793244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).