6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide

C19H28N4O2 — CID 110110458

IUPAC6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
SMILESCc1nc(CC2CCCN(C(=O)C3CCC3)C2)cc(C(=O)N(C)C)n1
InChIInChI=1S/C19H28N4O2/c1-13-20-16(11-17(21-13)19(25)22(2)3)10-14-6-5-9-23(12-14)18(24)15-7-4-8-15/h11,14-15H,4-10,12H2,1-3H3
InChIKeyBXLZNQPIXGTBAR-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.07
Rot. Bonds4

About 6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide

6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide (PubChem CID 110110458) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
PubChem CID110110458
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
SMILESCc1nc(CC2CCCN(C(=O)C3CCC3)C2)cc(C(=O)N(C)C)n1
InChIInChI=1S/C19H28N4O2/c1-13-20-16(11-17(21-13)19(25)22(2)3)10-14-6-5-9-23(12-14)18(24)15-7-4-8-15/h11,14-15H,4-10,12H2,1-3H3
InChIKeyBXLZNQPIXGTBAR-UHFFFAOYSA-N
XLogP2.07
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide
CID 110095121
N,N,2-trimethyl-6-[[1-(pyrimidine-5-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 110100816
6-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
CID 124986814
6-[[1-(2-fluorobenzoyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
CID 110109928
N,N,2-trimethyl-6-[[(3S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 124958349
cyclohexyl-[(3R)-3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 124962814
6-[[(3S)-1-acetylpiperidin-3-yl]methyl]-N,N-dimethylpyridazine-3-carboxamide
CID 95841001
cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 125025489
6-[[(4R)-1-(cyclobutanecarbonyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide
CID 124947519
N,2-dimethyl-6-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 124983622
6-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide
CID 124975865
6-[[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-2-methylpyrimidine-4-carboxamide
CID 125020264

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide?
The IUPAC name of 6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide (CID 110110458) is 6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide is Cc1nc(CC2CCCN(C(=O)C3CCC3)C2)cc(C(=O)N(C)C)n1.
What is the InChIKey of 6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide?
The InChIKey is BXLZNQPIXGTBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13-20-16(11-17(21-13)19(25)22(2)3)10-14-6-5-9-23(12-14)18(24)15-7-4-8-15/h11,14-15H,4-10,12H2,1-3H3.
What are the key properties of 6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide?
6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 110110458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).