1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide

C12H16N4O3 — CID 121064099

IUPAC1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cn2cnccc2=O)CC1
InChIInChI=1S/C12H16N4O3/c13-12(19)9-2-5-15(6-3-9)11(18)7-16-8-14-4-1-10(16)17/h1,4,8-9H,2-3,5-7H2,(H2,13,19)
InChIKeyXFGRBWZOYNEFDV-UHFFFAOYSA-N
MW264.28 g/mol
LogP-1.03
Rot. Bonds3

About 1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide

1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide (PubChem CID 121064099) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide
PubChem CID121064099
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cn2cnccc2=O)CC1
InChIInChI=1S/C12H16N4O3/c13-12(19)9-2-5-15(6-3-9)11(18)7-16-8-14-4-1-10(16)17/h1,4,8-9H,2-3,5-7H2,(H2,13,19)
InChIKeyXFGRBWZOYNEFDV-UHFFFAOYSA-N
XLogP-1.03
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-(4-methyl-6-oxopyrimidin-1(6H)-yl)acetyl)piperidine-4-carboxamide
CID 45535013
1-[2-(6-Oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63795440
3-(2-Piperidin-4-ylethyl)pyrimidin-4-one
CID 105061167
5-Methyl-3-{[1-(3-oxo-3,4-dihydropyrazin-2-yl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126940949
3-({1-[2-(2-Oxopyrrolidin-1-yl)ethyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126944979
3-({1-[2-Oxo-1-(propan-2-yl)pyrrolidin-3-yl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126944982
3-{4-[(6-Oxo-1,6-dihydropyrimidin-1-yl)methyl]piperidin-1-yl}azepan-2-one
CID 126944983
4-[(6-Oxo-1,6-dihydropyrimidin-1-yl)methyl]-[1,3'-bipiperidine]-2'-one
CID 126944986
3-{[1-(1-Cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126944987
3-{[1-(1-Methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126944988
3-({1-[(5-Oxopyrrolidin-3-yl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126944991
1-(6-Hydroxypyrimidine-4-carbonyl)piperidine-4-carboxamide
CID 137147281

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide (CID 121064099) is 1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)Cn2cnccc2=O)CC1.
What is the InChIKey of 1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is XFGRBWZOYNEFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-12(19)9-2-5-15(6-3-9)11(18)7-16-8-14-4-1-10(16)17/h1,4,8-9H,2-3,5-7H2,(H2,13,19).
What are the key properties of 1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide?
1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 264.28 g/mol, XLogP of -1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 121064099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).