1-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-2-phenylethanone

C21H26N4O2 — CID 70720193

IUPAC1-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-2-phenylethanone
SMILESCc1nc(N(C)C)ncc1C(=O)N1CCCC(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C21H26N4O2/c1-15-18(13-22-21(23-15)24(2)3)20(27)25-11-7-10-17(14-25)19(26)12-16-8-5-4-6-9-16/h4-6,8-9,13,17H,7,10-12,14H2,1-3H3
InChIKeyVJSNVOCSWYLYLS-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.52
Rot. Bonds5

About 1-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-2-phenylethanone

1-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-2-phenylethanone (PubChem CID 70720193) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-2-phenylethanone
PubChem CID70720193
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-2-phenylethanone
SMILESCc1nc(N(C)C)ncc1C(=O)N1CCCC(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C21H26N4O2/c1-15-18(13-22-21(23-15)24(2)3)20(27)25-11-7-10-17(14-25)19(26)12-16-8-5-4-6-9-16/h4-6,8-9,13,17H,7,10-12,14H2,1-3H3
InChIKeyVJSNVOCSWYLYLS-UHFFFAOYSA-N
XLogP2.52
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone
CID 20959486
[2-(dimethylamino)-4-methylpyrimidin-5-yl]-[(3S)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95814462
3-[(3R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]benzoic acid
CID 97205189
1-[1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]piperidin-3-yl]-2-phenylethanone
CID 70712573
(4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856145
2-(dimethylamino)-7-[(3R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92594985
[2-(dimethylamino)-4-methylpyrimidin-5-yl]-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 97190483
1-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-2-phenylethanone
CID 56885682
N-[1-(2,4-dimethylpyrimidine-5-carbonyl)azepan-4-yl]-N-methyl-1-phenylmethanesulfonamide
CID 110248529
3-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
CID 110089093
(3S,4S)-4-cyclopropyl-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 74238233
[2-[benzyl(methyl)amino]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109256784

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-2-phenylethanone?
The IUPAC name of 1-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-2-phenylethanone (CID 70720193) is 1-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-2-phenylethanone.
What is the SMILES notation for 1-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-2-phenylethanone?
The canonical SMILES for 1-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-2-phenylethanone is Cc1nc(N(C)C)ncc1C(=O)N1CCCC(C(=O)Cc2ccccc2)C1.
What is the InChIKey of 1-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-2-phenylethanone?
The InChIKey is VJSNVOCSWYLYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15-18(13-22-21(23-15)24(2)3)20(27)25-11-7-10-17(14-25)19(26)12-16-8-5-4-6-9-16/h4-6,8-9,13,17H,7,10-12,14H2,1-3H3.
What are the key properties of 1-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-2-phenylethanone?
1-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-2-phenylethanone has a molecular weight of 366.47 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-2-phenylethanone is sourced from PubChem (CID 70720193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).