2-[(2S)-1-[4-(3-methyl-4-pyridinyl)benzoyl]piperidin-2-yl]acetamide

C20H23N3O2 — CID 126442431

IUPAC2-[(2S)-1-[4-(3-methyl-4-pyridinyl)benzoyl]piperidin-2-yl]acetamide
SMILESCc1cnccc1-c1ccc(C(=O)N2CCCC[C@H]2CC(N)=O)cc1
InChIInChI=1S/C20H23N3O2/c1-14-13-22-10-9-18(14)15-5-7-16(8-6-15)20(25)23-11-3-2-4-17(23)12-19(21)24/h5-10,13,17H,2-4,11-12H2,1H3,(H2,21,24)/t17-/m0/s1
InChIKeyPIKTWHXQZLDVLM-KRWDZBQOSA-N
MW337.42 g/mol
LogP2.93
Rot. Bonds4

About 2-[(2S)-1-[4-(3-methyl-4-pyridinyl)benzoyl]piperidin-2-yl]acetamide

2-[(2S)-1-[4-(3-methyl-4-pyridinyl)benzoyl]piperidin-2-yl]acetamide (PubChem CID 126442431) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[(2S)-1-[4-(3-methyl-4-pyridinyl)benzoyl]piperidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-1-[4-(3-methyl-4-pyridinyl)benzoyl]piperidin-2-yl]acetamide
PubChem CID126442431
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-[(2S)-1-[4-(3-methyl-4-pyridinyl)benzoyl]piperidin-2-yl]acetamide
SMILESCc1cnccc1-c1ccc(C(=O)N2CCCC[C@H]2CC(N)=O)cc1
InChIInChI=1S/C20H23N3O2/c1-14-13-22-10-9-18(14)15-5-7-16(8-6-15)20(25)23-11-3-2-4-17(23)12-19(21)24/h5-10,13,17H,2-4,11-12H2,1H3,(H2,21,24)/t17-/m0/s1
InChIKeyPIKTWHXQZLDVLM-KRWDZBQOSA-N
XLogP2.93
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-[2-(2-amino-2-oxoethyl)piperidine-1-carbonyl]phenyl]pyrazine-2-carboxamide
CID 122565079
2-[(2S)-1-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]benzoyl]piperidin-2-yl]acetamide
CID 126442451
2-[(2R)-1-(4-pyrrol-1-ylbenzoyl)piperidin-2-yl]acetamide
CID 94818861
[2-(hydroxymethyl)azepan-1-yl]-pyridin-4-ylmethanone
CID 116636376
1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79541349
2-[(2R)-1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-2-yl]acetamide
CID 95293673
(2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
CID 110855901
2-[(2R)-1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperidin-2-yl]acetamide
CID 95286122
1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one
CID 79548958
ethyl 2-[1-[4-(1H-pyrazol-5-yl)benzoyl]piperidin-2-yl]acetate
CID 56901719
[(2S)-2-(aminomethyl)piperidin-1-yl]-[4-(2-chlorophenyl)phenyl]methanone
CID 126432406
[4-(6-methyl-3-pyridinyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 121495554

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[4-(3-methyl-4-pyridinyl)benzoyl]piperidin-2-yl]acetamide?
The IUPAC name of 2-[(2S)-1-[4-(3-methyl-4-pyridinyl)benzoyl]piperidin-2-yl]acetamide (CID 126442431) is 2-[(2S)-1-[4-(3-methyl-4-pyridinyl)benzoyl]piperidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2S)-1-[4-(3-methyl-4-pyridinyl)benzoyl]piperidin-2-yl]acetamide?
The canonical SMILES for 2-[(2S)-1-[4-(3-methyl-4-pyridinyl)benzoyl]piperidin-2-yl]acetamide is Cc1cnccc1-c1ccc(C(=O)N2CCCC[C@H]2CC(N)=O)cc1.
What is the InChIKey of 2-[(2S)-1-[4-(3-methyl-4-pyridinyl)benzoyl]piperidin-2-yl]acetamide?
The InChIKey is PIKTWHXQZLDVLM-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-13-22-10-9-18(14)15-5-7-16(8-6-15)20(25)23-11-3-2-4-17(23)12-19(21)24/h5-10,13,17H,2-4,11-12H2,1H3,(H2,21,24)/t17-/m0/s1.
What are the key properties of 2-[(2S)-1-[4-(3-methyl-4-pyridinyl)benzoyl]piperidin-2-yl]acetamide?
2-[(2S)-1-[4-(3-methyl-4-pyridinyl)benzoyl]piperidin-2-yl]acetamide has a molecular weight of 337.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[4-(3-methyl-4-pyridinyl)benzoyl]piperidin-2-yl]acetamide is sourced from PubChem (CID 126442431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).