1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide

C12H16N4O4 — CID 2150009

IUPAC1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C12H16N4O4/c13-11(19)7-1-3-16(4-2-7)10(18)6-8-5-9(17)15-12(20)14-8/h5,7H,1-4,6H2,(H2,13,19)(H2,14,15,17,20)
InChIKeyJCWBPTDBXPVPOD-UHFFFAOYSA-N
MW280.28 g/mol
LogP-1.67
Rot. Bonds3

About 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide

1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide (PubChem CID 2150009) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide
PubChem CID2150009
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C12H16N4O4/c13-11(19)7-1-3-16(4-2-7)10(18)6-8-5-9(17)15-12(20)14-8/h5,7H,1-4,6H2,(H2,13,19)(H2,14,15,17,20)
InChIKeyJCWBPTDBXPVPOD-UHFFFAOYSA-N
XLogP-1.67
TPSA129.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid
CID 43355935
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-methylpiperidine-4-carboxylic acid
CID 63123543
6-[2-(4-bromo-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 167759114
6-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 155960634
1-[2-(3-aminophenyl)acetyl]piperidine-4-carboxamide
CID 28711990
1-[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]piperidine-4-carboxamide
CID 110769588
1-[2-(2,5-difluorophenyl)acetyl]piperidine-4-carboxamide
CID 119138730
1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxamide
CID 107337428
1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
CID 95211420
4-(4-carbamoylpiperidin-1-yl)-4-oxobutanoic acid
CID 2826389
1-[2-(2-chloro-4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 110769975
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]piperidine-4-carboxamide
CID 56923124

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide (CID 2150009) is 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)CC1.
What is the InChIKey of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is JCWBPTDBXPVPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c13-11(19)7-1-3-16(4-2-7)10(18)6-8-5-9(17)15-12(20)14-8/h5,7H,1-4,6H2,(H2,13,19)(H2,14,15,17,20).
What are the key properties of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide?
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 280.28 g/mol, XLogP of -1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 2150009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).