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

C12H17ClN4O2 — CID 136792776

IUPACN-[[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C12H17ClN4O2/c1-8(18)14-6-9-2-4-17(5-3-9)11-10(13)12(19)16-7-15-11/h7,9H,2-6H2,1H3,(H,14,18)(H,15,16,19)
InChIKeyPEQXZAPSQYPLBH-UHFFFAOYSA-N
MW284.75 g/mol
LogP0.78
Rot. Bonds3

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

N-[[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 136792776) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is N-[[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
PubChem CID136792776
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC NameN-[[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C12H17ClN4O2/c1-8(18)14-6-9-2-4-17(5-3-9)11-10(13)12(19)16-7-15-11/h7,9H,2-6H2,1H3,(H,14,18)(H,15,16,19)
InChIKeyPEQXZAPSQYPLBH-UHFFFAOYSA-N
XLogP0.78
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methyl-4-[2-[(3R)-1-methylpiperidin-3-yl]ethylamino]-1H-pyrimidin-6-one
CID 137148245
5-Chloro-2-methyl-6-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrimidin-4-ol
CID 137205367
5-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009791
N-{[4-fluoro-1-(1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]methyl}acetamide
CID 165431804
4-[2-(2-aminoethyl)pentylamino]-5-chloro-1H-pyrimidin-6-one
CID 136704106
5-chloro-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
CID 136716231
5-chloro-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731873
5-chloro-4-(3-chloro-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749170
4-(3-bromo-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136749173
5-chloro-4-[4-(1-chloroethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136772455
4-[4-(1-bromoethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136772458
N-[[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792774

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide (CID 136792776) is N-[[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(c2nc[nH]c(=O)c2Cl)CC1.
What is the InChIKey of N-[[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is PEQXZAPSQYPLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-8(18)14-6-9-2-4-17(5-3-9)11-10(13)12(19)16-7-15-11/h7,9H,2-6H2,1H3,(H,14,18)(H,15,16,19).
What are the key properties of N-[[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
N-[[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 284.75 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 136792776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).