N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methyl-2-(4-methylimidazol-1-yl)propanamide

C20H26N4O3 — CID 146138026

IUPACN-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methyl-2-(4-methylimidazol-1-yl)propanamide
SMILESCc1cn(C(C)(C)C(=O)Nc2cccc(C(=O)N3CCCC(O)C3)c2)cn1
InChIInChI=1S/C20H26N4O3/c1-14-11-24(13-21-14)20(2,3)19(27)22-16-7-4-6-15(10-16)18(26)23-9-5-8-17(25)12-23/h4,6-7,10-11,13,17,25H,5,8-9,12H2,1-3H3,(H,22,27)
InChIKeyLDLKQMNESINEJJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.16
Rot. Bonds4

About N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methyl-2-(4-methylimidazol-1-yl)propanamide

N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methyl-2-(4-methylimidazol-1-yl)propanamide (PubChem CID 146138026) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methyl-2-(4-methylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methyl-2-(4-methylimidazol-1-yl)propanamide
PubChem CID146138026
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methyl-2-(4-methylimidazol-1-yl)propanamide
SMILESCc1cn(C(C)(C)C(=O)Nc2cccc(C(=O)N3CCCC(O)C3)c2)cn1
InChIInChI=1S/C20H26N4O3/c1-14-11-24(13-21-14)20(2,3)19(27)22-16-7-4-6-15(10-16)18(26)23-9-5-8-17(25)12-23/h4,6-7,10-11,13,17,25H,5,8-9,12H2,1-3H3,(H,22,27)
InChIKeyLDLKQMNESINEJJ-UHFFFAOYSA-N
XLogP2.16
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 110930987
N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 97260290
N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,2-dimethylpropanamide
CID 110884052
N-cyclopentyl-1-[3-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 50829342
N-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide
CID 111561910
(3-hydroxypiperidin-1-yl)-[3-(2-phenoxyethylamino)phenyl]methanone
CID 71978123
(3-hydroxypiperidin-1-yl)-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]methanone
CID 71997949
[3-[(3-fluorophenyl)methylamino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 95175600
(3-hydroxypiperidin-1-yl)-[3-(1,2-thiazol-4-ylmethylamino)phenyl]methanone
CID 146104522
N-[3-(3-hydroxyazetidine-1-carbonyl)phenyl]acetamide
CID 55178587
(3-hydroxypiperidin-1-yl)-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 111439387
[3-[(2,3-difluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 111777953

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methyl-2-(4-methylimidazol-1-yl)propanamide?
The IUPAC name of N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methyl-2-(4-methylimidazol-1-yl)propanamide (CID 146138026) is N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methyl-2-(4-methylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methyl-2-(4-methylimidazol-1-yl)propanamide?
The canonical SMILES for N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methyl-2-(4-methylimidazol-1-yl)propanamide is Cc1cn(C(C)(C)C(=O)Nc2cccc(C(=O)N3CCCC(O)C3)c2)cn1.
What is the InChIKey of N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methyl-2-(4-methylimidazol-1-yl)propanamide?
The InChIKey is LDLKQMNESINEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14-11-24(13-21-14)20(2,3)19(27)22-16-7-4-6-15(10-16)18(26)23-9-5-8-17(25)12-23/h4,6-7,10-11,13,17,25H,5,8-9,12H2,1-3H3,(H,22,27).
What are the key properties of N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methyl-2-(4-methylimidazol-1-yl)propanamide?
N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methyl-2-(4-methylimidazol-1-yl)propanamide has a molecular weight of 370.45 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methyl-2-(4-methylimidazol-1-yl)propanamide is sourced from PubChem (CID 146138026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).