methyl 6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyrimidine-4-carboxylate

C14H20N4O3 — CID 118420996

IUPACmethyl 6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(CNCC(=O)N2CCCCC2)ncn1
InChIInChI=1S/C14H20N4O3/c1-21-14(20)12-7-11(16-10-17-12)8-15-9-13(19)18-5-3-2-4-6-18/h7,10,15H,2-6,8-9H2,1H3
InChIKeySBAHLRFGUDCYIX-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.37
Rot. Bonds5

About methyl 6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyrimidine-4-carboxylate

methyl 6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyrimidine-4-carboxylate (PubChem CID 118420996) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyrimidine-4-carboxylate
PubChem CID118420996
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Namemethyl 6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(CNCC(=O)N2CCCCC2)ncn1
InChIInChI=1S/C14H20N4O3/c1-21-14(20)12-7-11(16-10-17-12)8-15-9-13(19)18-5-3-2-4-6-18/h7,10,15H,2-6,8-9H2,1H3
InChIKeySBAHLRFGUDCYIX-UHFFFAOYSA-N
XLogP0.37
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyrimidine-4-carboxylate with MolForge

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Related Compounds

1-piperidin-1-yl-2-(1,3-thiazol-4-ylmethylamino)ethanone
CID 115590354
2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone
CID 62990090
2-[(1-methylpyrazol-3-yl)methylamino]-1-piperidin-1-ylethanone
CID 78921060
methyl 5-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carboxylate
CID 112684787
1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone
CID 28575460
1-piperidin-1-yl-2-(thiadiazol-4-ylmethylamino)ethanone
CID 115587343
1-(azepan-1-yl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanone
CID 60859816
1-(azepan-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone
CID 28570429
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-1-piperidin-1-ylethanone
CID 115586605
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 106371910
2-[[3-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylethanone
CID 54896178
1-(azepan-1-yl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanone
CID 82738475

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyrimidine-4-carboxylate (CID 118420996) is methyl 6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyrimidine-4-carboxylate is COC(=O)c1cc(CNCC(=O)N2CCCCC2)ncn1.
What is the InChIKey of methyl 6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyrimidine-4-carboxylate?
The InChIKey is SBAHLRFGUDCYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-21-14(20)12-7-11(16-10-17-12)8-15-9-13(19)18-5-3-2-4-6-18/h7,10,15H,2-6,8-9H2,1H3.
What are the key properties of methyl 6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyrimidine-4-carboxylate?
methyl 6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyrimidine-4-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyrimidine-4-carboxylate is sourced from PubChem (CID 118420996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).