N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-6-oxopiperidine-3-carboxamide

C15H21N5O3 — CID 122318847

IUPACN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)NCc2nccc(N3CCOCC3)n2)CN1
InChIInChI=1S/C15H21N5O3/c21-14-2-1-11(9-17-14)15(22)18-10-12-16-4-3-13(19-12)20-5-7-23-8-6-20/h3-4,11H,1-2,5-10H2,(H,17,21)(H,18,22)
InChIKeyUMCBKFBRMDRAPC-UHFFFAOYSA-N
MW319.37 g/mol
LogP-0.54
Rot. Bonds4

About N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-6-oxopiperidine-3-carboxamide

N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 122318847) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID122318847
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC NameN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)NCc2nccc(N3CCOCC3)n2)CN1
InChIInChI=1S/C15H21N5O3/c21-14-2-1-11(9-17-14)15(22)18-10-12-16-4-3-13(19-12)20-5-7-23-8-6-20/h3-4,11H,1-2,5-10H2,(H,17,21)(H,18,22)
InChIKeyUMCBKFBRMDRAPC-UHFFFAOYSA-N
XLogP-0.54
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-3-carboxamide
CID 122318827
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclohexanecarboxamide
CID 72717997
2-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
CID 72718086
4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966739
1-(3-methoxyphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 122318776
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]adamantane-1-carboxamide
CID 122318757
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pentanamide
CID 72718087
N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 113223533
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]cyclopropanecarboxamide
CID 71807461
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-phenoxybenzamide
CID 122318793
4-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122318875
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-phenylbutanamide
CID 72718115

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 122318847) is N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-6-oxopiperidine-3-carboxamide is O=C1CCC(C(=O)NCc2nccc(N3CCOCC3)n2)CN1.
What is the InChIKey of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is UMCBKFBRMDRAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c21-14-2-1-11(9-17-14)15(22)18-10-12-16-4-3-13(19-12)20-5-7-23-8-6-20/h3-4,11H,1-2,5-10H2,(H,17,21)(H,18,22).
What are the key properties of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 319.37 g/mol, XLogP of -0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 122318847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).