1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide

C12H18N4O3 — CID 136687974

IUPAC1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2nc[nH]c(=O)c2OC)C1
InChIInChI=1S/C12H18N4O3/c1-13-11(17)8-4-3-5-16(6-8)10-9(19-2)12(18)15-7-14-10/h7-8H,3-6H2,1-2H3,(H,13,17)(H,14,15,18)
InChIKeyRKYJLSFDEMOEMP-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.26
Rot. Bonds3

About 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide

1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide (PubChem CID 136687974) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
PubChem CID136687974
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2nc[nH]c(=O)c2OC)C1
InChIInChI=1S/C12H18N4O3/c1-13-11(17)8-4-3-5-16(6-8)10-9(19-2)12(18)15-7-14-10/h7-8H,3-6H2,1-2H3,(H,13,17)(H,14,15,18)
InChIKeyRKYJLSFDEMOEMP-UHFFFAOYSA-N
XLogP-0.26
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 136687980
5-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716214
2-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
CID 136745653
N-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792780
5-methoxy-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805327
5-methoxy-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805334
4-[ethyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136805344
4-[cyclopropyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136805352
5-methoxy-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805362
4-[(1-amino-4-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136848624
4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136869155
4-[(5-amino-4-methylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136901100

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide (CID 136687974) is 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2nc[nH]c(=O)c2OC)C1.
What is the InChIKey of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide?
The InChIKey is RKYJLSFDEMOEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-13-11(17)8-4-3-5-16(6-8)10-9(19-2)12(18)15-7-14-10/h7-8H,3-6H2,1-2H3,(H,13,17)(H,14,15,18).
What are the key properties of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide?
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 136687974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).