1-(4-aminopyrimidin-2-yl)-N,N-diethylpiperidine-3-carboxamide

C14H23N5O — CID 117090231

IUPAC1-(4-aminopyrimidin-2-yl)-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2nccc(N)n2)C1
InChIInChI=1S/C14H23N5O/c1-3-18(4-2)13(20)11-6-5-9-19(10-11)14-16-8-7-12(15)17-14/h7-8,11H,3-6,9-10H2,1-2H3,(H2,15,16,17)
InChIKeyFZVWTQPUPHTFOJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.14
Rot. Bonds4

About 1-(4-aminopyrimidin-2-yl)-N,N-diethylpiperidine-3-carboxamide

1-(4-aminopyrimidin-2-yl)-N,N-diethylpiperidine-3-carboxamide (PubChem CID 117090231) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(4-aminopyrimidin-2-yl)-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-aminopyrimidin-2-yl)-N,N-diethylpiperidine-3-carboxamide
PubChem CID117090231
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1-(4-aminopyrimidin-2-yl)-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2nccc(N)n2)C1
InChIInChI=1S/C14H23N5O/c1-3-18(4-2)13(20)11-6-5-9-19(10-11)14-16-8-7-12(15)17-14/h7-8,11H,3-6,9-10H2,1-2H3,(H2,15,16,17)
InChIKeyFZVWTQPUPHTFOJ-UHFFFAOYSA-N
XLogP1.14
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrimidin-2-yl)-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-aminopyrimidin-2-yl)-N,N-diethylpiperidine-3-carboxamide (CID 117090231) is 1-(4-aminopyrimidin-2-yl)-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-aminopyrimidin-2-yl)-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-aminopyrimidin-2-yl)-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(c2nccc(N)n2)C1.
What is the InChIKey of 1-(4-aminopyrimidin-2-yl)-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is FZVWTQPUPHTFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-18(4-2)13(20)11-6-5-9-19(10-11)14-16-8-7-12(15)17-14/h7-8,11H,3-6,9-10H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(4-aminopyrimidin-2-yl)-N,N-diethylpiperidine-3-carboxamide?
1-(4-aminopyrimidin-2-yl)-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrimidin-2-yl)-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 117090231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).