1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide

C12H17ClN4O2 — CID 135122569

IUPAC1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(c2ncc(Cl)c(=O)[nH]2)CC1
InChIInChI=1S/C12H17ClN4O2/c1-16(2)11(19)8-3-5-17(6-4-8)12-14-7-9(13)10(18)15-12/h7-8H,3-6H2,1-2H3,(H,14,15,18)
InChIKeyOBAZNNUCTIAKBK-UHFFFAOYSA-N
MW284.75 g/mol
LogP0.73
Rot. Bonds2

About 1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide

1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 135122569) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
PubChem CID135122569
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(c2ncc(Cl)c(=O)[nH]2)CC1
InChIInChI=1S/C12H17ClN4O2/c1-16(2)11(19)8-3-5-17(6-4-8)12-14-7-9(13)10(18)15-12/h7-8H,3-6H2,1-2H3,(H,14,15,18)
InChIKeyOBAZNNUCTIAKBK-UHFFFAOYSA-N
XLogP0.73
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide (CID 135122569) is 1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(c2ncc(Cl)c(=O)[nH]2)CC1.
What is the InChIKey of 1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is OBAZNNUCTIAKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-16(2)11(19)8-3-5-17(6-4-8)12-14-7-9(13)10(18)15-12/h7-8H,3-6H2,1-2H3,(H,14,15,18).
What are the key properties of 1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide?
1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 284.75 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 135122569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).