1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxamide

C14H19ClN4O2 — CID 62088855

IUPAC1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)N2CCCC(C(N)=O)C2)n1
InChIInChI=1S/C14H19ClN4O2/c1-8(2)13-17-6-10(15)11(18-13)14(21)19-5-3-4-9(7-19)12(16)20/h6,8-9H,3-5,7H2,1-2H3,(H2,16,20)
InChIKeySKKPJQOCMOGLPT-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.59
Rot. Bonds3

About 1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxamide

1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxamide (PubChem CID 62088855) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxamide
PubChem CID62088855
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)N2CCCC(C(N)=O)C2)n1
InChIInChI=1S/C14H19ClN4O2/c1-8(2)13-17-6-10(15)11(18-13)14(21)19-5-3-4-9(7-19)12(16)20/h6,8-9H,3-5,7H2,1-2H3,(H2,16,20)
InChIKeySKKPJQOCMOGLPT-UHFFFAOYSA-N
XLogP1.59
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxylic acid
CID 62087401
azocan-1-yl-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone
CID 62021698
[3-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone;hydrochloride
CID 119592986
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 55032845
1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide
CID 56797170
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 47459227
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 56821641
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 62089029
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(1,4-oxazepan-4-yl)methanone
CID 62061026
1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-4-carbonitrile
CID 49061113
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone
CID 62086699
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119644450

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxamide (CID 62088855) is 1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxamide is CC(C)c1ncc(Cl)c(C(=O)N2CCCC(C(N)=O)C2)n1.
What is the InChIKey of 1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is SKKPJQOCMOGLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-8(2)13-17-6-10(15)11(18-13)14(21)19-5-3-4-9(7-19)12(16)20/h6,8-9H,3-5,7H2,1-2H3,(H2,16,20).
What are the key properties of 1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxamide?
1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 310.79 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 62088855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).