3-(1H-imidazol-2-yl)-N-(2-methyl-3-morpholin-4-ylpropyl)piperidine-1-carboxamide

C17H29N5O2 — CID 127345387

IUPAC3-(1H-imidazol-2-yl)-N-(2-methyl-3-morpholin-4-ylpropyl)piperidine-1-carboxamide
SMILESCC(CNC(=O)N1CCCC(c2ncc[nH]2)C1)CN1CCOCC1
InChIInChI=1S/C17H29N5O2/c1-14(12-21-7-9-24-10-8-21)11-20-17(23)22-6-2-3-15(13-22)16-18-4-5-19-16/h4-5,14-15H,2-3,6-13H2,1H3,(H,18,19)(H,20,23)
InChIKeyVZONUFLJLCUVIS-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.27
Rot. Bonds5

About 3-(1H-imidazol-2-yl)-N-(2-methyl-3-morpholin-4-ylpropyl)piperidine-1-carboxamide

3-(1H-imidazol-2-yl)-N-(2-methyl-3-morpholin-4-ylpropyl)piperidine-1-carboxamide (PubChem CID 127345387) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-N-(2-methyl-3-morpholin-4-ylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-N-(2-methyl-3-morpholin-4-ylpropyl)piperidine-1-carboxamide
PubChem CID127345387
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name3-(1H-imidazol-2-yl)-N-(2-methyl-3-morpholin-4-ylpropyl)piperidine-1-carboxamide
SMILESCC(CNC(=O)N1CCCC(c2ncc[nH]2)C1)CN1CCOCC1
InChIInChI=1S/C17H29N5O2/c1-14(12-21-7-9-24-10-8-21)11-20-17(23)22-6-2-3-15(13-22)16-18-4-5-19-16/h4-5,14-15H,2-3,6-13H2,1H3,(H,18,19)(H,20,23)
InChIKeyVZONUFLJLCUVIS-UHFFFAOYSA-N
XLogP1.27
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-N-(2-methyl-3-morpholin-4-ylpropyl)piperidine-1-carboxamide?
The IUPAC name of 3-(1H-imidazol-2-yl)-N-(2-methyl-3-morpholin-4-ylpropyl)piperidine-1-carboxamide (CID 127345387) is 3-(1H-imidazol-2-yl)-N-(2-methyl-3-morpholin-4-ylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-N-(2-methyl-3-morpholin-4-ylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(1H-imidazol-2-yl)-N-(2-methyl-3-morpholin-4-ylpropyl)piperidine-1-carboxamide is CC(CNC(=O)N1CCCC(c2ncc[nH]2)C1)CN1CCOCC1.
What is the InChIKey of 3-(1H-imidazol-2-yl)-N-(2-methyl-3-morpholin-4-ylpropyl)piperidine-1-carboxamide?
The InChIKey is VZONUFLJLCUVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-14(12-21-7-9-24-10-8-21)11-20-17(23)22-6-2-3-15(13-22)16-18-4-5-19-16/h4-5,14-15H,2-3,6-13H2,1H3,(H,18,19)(H,20,23).
What are the key properties of 3-(1H-imidazol-2-yl)-N-(2-methyl-3-morpholin-4-ylpropyl)piperidine-1-carboxamide?
3-(1H-imidazol-2-yl)-N-(2-methyl-3-morpholin-4-ylpropyl)piperidine-1-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-N-(2-methyl-3-morpholin-4-ylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 127345387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).