2-[(2S)-1-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]benzoyl]piperidin-2-yl]acetamide

C20H25N5O2 — CID 126442451

IUPAC2-[(2S)-1-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]benzoyl]piperidin-2-yl]acetamide
SMILESCNc1cc(C)nc(-c2ccc(C(=O)N3CCCC[C@H]3CC(N)=O)cc2)n1
InChIInChI=1S/C20H25N5O2/c1-13-11-18(22-2)24-19(23-13)14-6-8-15(9-7-14)20(27)25-10-4-3-5-16(25)12-17(21)26/h6-9,11,16H,3-5,10,12H2,1-2H3,(H2,21,26)(H,22,23,24)/t16-/m0/s1
InChIKeyWQIDVYDPNWLGIH-INIZCTEOSA-N
MW367.45 g/mol
LogP2.36
Rot. Bonds5

About 2-[(2S)-1-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]benzoyl]piperidin-2-yl]acetamide

2-[(2S)-1-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]benzoyl]piperidin-2-yl]acetamide (PubChem CID 126442451) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[(2S)-1-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]benzoyl]piperidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-1-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]benzoyl]piperidin-2-yl]acetamide
PubChem CID126442451
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name2-[(2S)-1-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]benzoyl]piperidin-2-yl]acetamide
SMILESCNc1cc(C)nc(-c2ccc(C(=O)N3CCCC[C@H]3CC(N)=O)cc2)n1
InChIInChI=1S/C20H25N5O2/c1-13-11-18(22-2)24-19(23-13)14-6-8-15(9-7-14)20(27)25-10-4-3-5-16(25)12-17(21)26/h6-9,11,16H,3-5,10,12H2,1-2H3,(H2,21,26)(H,22,23,24)/t16-/m0/s1
InChIKeyWQIDVYDPNWLGIH-INIZCTEOSA-N
XLogP2.36
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-1-[4-(3-methyl-4-pyridinyl)benzoyl]piperidin-2-yl]acetamide
CID 126442431
6-[4-[2-(2-amino-2-oxoethyl)piperidine-1-carbonyl]phenyl]pyrazine-2-carboxamide
CID 122565079
[4-[(2R)-1-methoxypropan-2-yl]piperidin-1-yl]-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]phenyl]methanone
CID 126449562
2-[(2R)-1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-2-yl]acetamide
CID 95293673
2-[(2R)-1-(4-pyrrol-1-ylbenzoyl)piperidin-2-yl]acetamide
CID 94818861
2-[(2R)-1-[3-(azepan-1-ylmethyl)benzoyl]piperidin-2-yl]acetamide
CID 28785398
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[2-(2-aminooxyethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 82044979
2-[(2R)-1-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperidin-2-yl]acetamide
CID 95382927
2-[(2R)-1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperidin-2-yl]acetamide
CID 95286122
(2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 77081763
2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]acetic acid
CID 54899855

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]benzoyl]piperidin-2-yl]acetamide?
The IUPAC name of 2-[(2S)-1-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]benzoyl]piperidin-2-yl]acetamide (CID 126442451) is 2-[(2S)-1-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]benzoyl]piperidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2S)-1-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]benzoyl]piperidin-2-yl]acetamide?
The canonical SMILES for 2-[(2S)-1-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]benzoyl]piperidin-2-yl]acetamide is CNc1cc(C)nc(-c2ccc(C(=O)N3CCCC[C@H]3CC(N)=O)cc2)n1.
What is the InChIKey of 2-[(2S)-1-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]benzoyl]piperidin-2-yl]acetamide?
The InChIKey is WQIDVYDPNWLGIH-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13-11-18(22-2)24-19(23-13)14-6-8-15(9-7-14)20(27)25-10-4-3-5-16(25)12-17(21)26/h6-9,11,16H,3-5,10,12H2,1-2H3,(H2,21,26)(H,22,23,24)/t16-/m0/s1.
What are the key properties of 2-[(2S)-1-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]benzoyl]piperidin-2-yl]acetamide?
2-[(2S)-1-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]benzoyl]piperidin-2-yl]acetamide has a molecular weight of 367.45 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]benzoyl]piperidin-2-yl]acetamide is sourced from PubChem (CID 126442451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).