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

C11H16N4O3 — CID 137009004

IUPAC1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCOc1c(N2CCCC(C(N)=O)C2)nc[nH]c1=O
InChIInChI=1S/C11H16N4O3/c1-18-8-10(13-6-14-11(8)17)15-4-2-3-7(5-15)9(12)16/h6-7H,2-5H2,1H3,(H2,12,16)(H,13,14,17)
InChIKeyYKOSHAJMWLVFAG-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.52
Rot. Bonds3

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

1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 137009004) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID137009004
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCOc1c(N2CCCC(C(N)=O)C2)nc[nH]c1=O
InChIInChI=1S/C11H16N4O3/c1-18-8-10(13-6-14-11(8)17)15-4-2-3-7(5-15)9(12)16/h6-7H,2-5H2,1H3,(H2,12,16)(H,13,14,17)
InChIKeyYKOSHAJMWLVFAG-UHFFFAOYSA-N
XLogP-0.52
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687974
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

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide (CID 137009004) is 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide is COc1c(N2CCCC(C(N)=O)C2)nc[nH]c1=O.
What is the InChIKey of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is YKOSHAJMWLVFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-18-8-10(13-6-14-11(8)17)15-4-2-3-7(5-15)9(12)16/h6-7H,2-5H2,1H3,(H2,12,16)(H,13,14,17).
What are the key properties of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 252.27 g/mol, XLogP of -0.52, 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)piperidine-3-carboxamide is sourced from PubChem (CID 137009004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).