1-acetyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]piperidine-4-carboxamide

C19H34N3O3+ — CID 9167508

IUPAC1-acetyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1
InChIInChI=1S/C19H33N3O3/c1-16(23)21-9-5-17(6-10-21)18(24)20-15-19(7-3-2-4-8-19)22-11-13-25-14-12-22/h17H,2-15H2,1H3,(H,20,24)/p+1
InChIKeyICBZNVBYZPOCRT-UHFFFAOYSA-O
MW352.50 g/mol
LogP-0.02
Rot. Bonds4

About 1-acetyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]piperidine-4-carboxamide

1-acetyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]piperidine-4-carboxamide (PubChem CID 9167508) has the molecular formula C19H34N3O3+ and a molecular weight of 352.50 g/mol. Its IUPAC name is 1-acetyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]piperidine-4-carboxamide
PubChem CID9167508
Molecular FormulaC19H34N3O3+
Molecular Weight352.50 g/mol
Exact Mass352.26
IUPAC Name1-acetyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1
InChIInChI=1S/C19H33N3O3/c1-16(23)21-9-5-17(6-10-21)18(24)20-15-19(7-3-2-4-8-19)22-11-13-25-14-12-22/h17H,2-15H2,1H3,(H,20,24)/p+1
InChIKeyICBZNVBYZPOCRT-UHFFFAOYSA-O
XLogP-0.02
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]piperidine-4-carboxamide (CID 9167508) is 1-acetyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1.
What is the InChIKey of 1-acetyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]piperidine-4-carboxamide?
The InChIKey is ICBZNVBYZPOCRT-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H33N3O3/c1-16(23)21-9-5-17(6-10-21)18(24)20-15-19(7-3-2-4-8-19)22-11-13-25-14-12-22/h17H,2-15H2,1H3,(H,20,24)/p+1.
What are the key properties of 1-acetyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]piperidine-4-carboxamide?
1-acetyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]piperidine-4-carboxamide has a molecular weight of 352.50 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 9167508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).