1-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide

C11H20N4O — CID 23594197

IUPAC1-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide
SMILESCN1CCC(C(=O)NC2=NCCCN2)CC1
InChIInChI=1S/C11H20N4O/c1-15-7-3-9(4-8-15)10(16)14-11-12-5-2-6-13-11/h9H,2-8H2,1H3,(H2,12,13,14,16)
InChIKeyRLHOOGFRPIIXHJ-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.21
Rot. Bonds1

About 1-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide

1-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 23594197) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID23594197
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide
SMILESCN1CCC(C(=O)NC2=NCCCN2)CC1
InChIInChI=1S/C11H20N4O/c1-15-7-3-9(4-8-15)10(16)14-11-12-5-2-6-13-11/h9H,2-8H2,1H3,(H2,12,13,14,16)
InChIKeyRLHOOGFRPIIXHJ-UHFFFAOYSA-N
XLogP-0.21
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide (CID 23594197) is 1-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide is CN1CCC(C(=O)NC2=NCCCN2)CC1.
What is the InChIKey of 1-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is RLHOOGFRPIIXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-15-7-3-9(4-8-15)10(16)14-11-12-5-2-6-13-11/h9H,2-8H2,1H3,(H2,12,13,14,16).
What are the key properties of 1-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide?
1-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 224.31 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 23594197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).