N-[1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide

C28H33N5O2 — CID 124962169

IUPACN-[1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide
SMILESCN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN(C(=O)C(C)(C)NC(=O)c3ccccc3)C2)n1
InChIInChI=1S/C28H33N5O2/c1-28(2,31-25(34)21-14-9-6-10-15-21)26(35)33-17-11-16-22(19-33)24-23(20-12-7-5-8-13-20)18-29-27(30-24)32(3)4/h5-10,12-15,18,22H,11,16-17,19H2,1-4H3,(H,31,34)/t22-/m1/s1
InChIKeyHGVMUVUYMJRUAM-JOCHJYFZSA-N
MW471.61 g/mol
LogP4.12
Rot. Bonds6

About N-[1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide

N-[1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide (PubChem CID 124962169) has the molecular formula C28H33N5O2 and a molecular weight of 471.61 g/mol. Its IUPAC name is N-[1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide
PubChem CID124962169
Molecular FormulaC28H33N5O2
Molecular Weight471.61 g/mol
Exact Mass471.26
IUPAC NameN-[1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide
SMILESCN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN(C(=O)C(C)(C)NC(=O)c3ccccc3)C2)n1
InChIInChI=1S/C28H33N5O2/c1-28(2,31-25(34)21-14-9-6-10-15-21)26(35)33-17-11-16-22(19-33)24-23(20-12-7-5-8-13-20)18-29-27(30-24)32(3)4/h5-10,12-15,18,22H,11,16-17,19H2,1-4H3,(H,31,34)/t22-/m1/s1
InChIKeyHGVMUVUYMJRUAM-JOCHJYFZSA-N
XLogP4.12
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide
CID 129453383
1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92618082
2-[3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 110266436
[3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 110266511
2-[(3S)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 92615344
[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
CID 124942858
1-[3-[2-(dimethylamino)-5-(3-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 110266461
4-[4-[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
CID 92617488
N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide
CID 110148762
cyclopentyl-[3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110266500
[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]methanone
CID 125002103
[3-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110266472

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide (CID 124962169) is N-[1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide is CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN(C(=O)C(C)(C)NC(=O)c3ccccc3)C2)n1.
What is the InChIKey of N-[1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide?
The InChIKey is HGVMUVUYMJRUAM-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H33N5O2/c1-28(2,31-25(34)21-14-9-6-10-15-21)26(35)33-17-11-16-22(19-33)24-23(20-12-7-5-8-13-20)18-29-27(30-24)32(3)4/h5-10,12-15,18,22H,11,16-17,19H2,1-4H3,(H,31,34)/t22-/m1/s1.
What are the key properties of N-[1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide?
N-[1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide has a molecular weight of 471.61 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 124962169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).