2-[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide

C11H15ClN4O2 — CID 137009440

IUPAC2-[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C11H15ClN4O2/c12-9-10(14-6-15-11(9)18)16-3-1-7(2-4-16)5-8(13)17/h6-7H,1-5H2,(H2,13,17)(H,14,15,18)
InChIKeyZLORBUMMYGKZMX-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.52
Rot. Bonds3

About 2-[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide

2-[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide (PubChem CID 137009440) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide
PubChem CID137009440
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name2-[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C11H15ClN4O2/c12-9-10(14-6-15-11(9)18)16-3-1-7(2-4-16)5-8(13)17/h6-7H,1-5H2,(H2,13,17)(H,14,15,18)
InChIKeyZLORBUMMYGKZMX-UHFFFAOYSA-N
XLogP0.52
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009791
5-chloro-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731873
N-[[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792776
5-chloro-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805330
5-chloro-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805366
5-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
CID 136880885
5-chloro-4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136912693
4-[3-(2-aminoethyl)pyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136929470
1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
CID 136957332
4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136961740
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-6-methylpiperidine-3-carboxamide
CID 136971085
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboximidamide
CID 136971720

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide (CID 137009440) is 2-[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide is NC(=O)CC1CCN(c2nc[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 2-[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is ZLORBUMMYGKZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c12-9-10(14-6-15-11(9)18)16-3-1-7(2-4-16)5-8(13)17/h6-7H,1-5H2,(H2,13,17)(H,14,15,18).
What are the key properties of 2-[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide?
2-[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 270.72 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 137009440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).