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

C18H26N4O2 — CID 110095121

IUPAC6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide
SMILESCN(C)C(=O)c1cc(CC2CCCN(C(=O)C3CCC3)C2)ncn1
InChIInChI=1S/C18H26N4O2/c1-21(2)18(24)16-10-15(19-12-20-16)9-13-5-4-8-22(11-13)17(23)14-6-3-7-14/h10,12-14H,3-9,11H2,1-2H3
InChIKeyPAMZDWPQQMVRDU-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.76
Rot. Bonds4

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

6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide (PubChem CID 110095121) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide
PubChem CID110095121
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide
SMILESCN(C)C(=O)c1cc(CC2CCCN(C(=O)C3CCC3)C2)ncn1
InChIInChI=1S/C18H26N4O2/c1-21(2)18(24)16-10-15(19-12-20-16)9-13-5-4-8-22(11-13)17(23)14-6-3-7-14/h10,12-14H,3-9,11H2,1-2H3
InChIKeyPAMZDWPQQMVRDU-UHFFFAOYSA-N
XLogP1.76
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
CID 110110458
6-[[(4R)-1-(cyclobutanecarbonyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide
CID 124947519
6-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide
CID 124975865
cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 125025489
N,N,2-trimethyl-6-[[1-(pyrimidine-5-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 110100816
6-[[(3S)-1-acetylpiperidin-3-yl]methyl]-N,N-dimethylpyridazine-3-carboxamide
CID 95841001
cyclohexyl-[(3S)-3-[[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 95843254
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
2-hydroxy-1-[3-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 110269085
6-[[1-(2-cyclopentylacetyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide
CID 110110378
cyclohexyl-[(3R)-3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 124962814

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide?
The IUPAC name of 6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide (CID 110095121) is 6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide is CN(C)C(=O)c1cc(CC2CCCN(C(=O)C3CCC3)C2)ncn1.
What is the InChIKey of 6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide?
The InChIKey is PAMZDWPQQMVRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-21(2)18(24)16-10-15(19-12-20-16)9-13-5-4-8-22(11-13)17(23)14-6-3-7-14/h10,12-14H,3-9,11H2,1-2H3.
What are the key properties of 6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide?
6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.76, 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-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 110095121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).