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

C21H26N4O2 — CID 124986814

IUPAC6-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
SMILESCc1nc(C[C@H]2CCCN(C(=O)c3ccccc3)C2)cc(C(=O)N(C)C)n1
InChIInChI=1S/C21H26N4O2/c1-15-22-18(13-19(23-15)21(27)24(2)3)12-16-8-7-11-25(14-16)20(26)17-9-5-4-6-10-17/h4-6,9-10,13,16H,7-8,11-12,14H2,1-3H3/t16-/m1/s1
InChIKeyOBGQHDKQGACKQO-MRXNPFEDSA-N
MW366.47 g/mol
LogP2.58
Rot. Bonds4

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

6-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide (PubChem CID 124986814) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 6-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
PubChem CID124986814
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name6-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
SMILESCc1nc(C[C@H]2CCCN(C(=O)c3ccccc3)C2)cc(C(=O)N(C)C)n1
InChIInChI=1S/C21H26N4O2/c1-15-22-18(13-19(23-15)21(27)24(2)3)12-16-8-7-11-25(14-16)20(26)17-9-5-4-6-10-17/h4-6,9-10,13,16H,7-8,11-12,14H2,1-3H3/t16-/m1/s1
InChIKeyOBGQHDKQGACKQO-MRXNPFEDSA-N
XLogP2.58
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,2-trimethyl-6-[[1-(pyrimidine-5-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 110100816
6-[[1-(2-fluorobenzoyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
CID 110109928
6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
CID 110110458
[3-[[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-phenylmethanone
CID 110269486
6-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide
CID 124975865
6-[[(3S)-1-acetylpiperidin-3-yl]methyl]-N,N-dimethylpyridazine-3-carboxamide
CID 95841001
6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide
CID 110095121
6-[[(4S)-1-benzoylazepan-4-yl]methyl]pyrimidine-4-carboxamide
CID 124986245
(2-methylpyrimidin-4-yl)-[(3R)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 124961035
(2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124961648
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 90641474
[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 95227399

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide?
The IUPAC name of 6-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide (CID 124986814) is 6-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide is Cc1nc(C[C@H]2CCCN(C(=O)c3ccccc3)C2)cc(C(=O)N(C)C)n1.
What is the InChIKey of 6-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide?
The InChIKey is OBGQHDKQGACKQO-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15-22-18(13-19(23-15)21(27)24(2)3)12-16-8-7-11-25(14-16)20(26)17-9-5-4-6-10-17/h4-6,9-10,13,16H,7-8,11-12,14H2,1-3H3/t16-/m1/s1.
What are the key properties of 6-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide?
6-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 124986814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).