2-[2-[(3R)-3-hydroxypiperidine-1-carbonyl]anilino]-N-(2-methoxy-5-methylphenyl)acetamide

C22H27N3O4 — CID 51957235

IUPAC2-[2-[(3R)-3-hydroxypiperidine-1-carbonyl]anilino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNc1ccccc1C(=O)N1CCC[C@@H](O)C1
InChIInChI=1S/C22H27N3O4/c1-15-9-10-20(29-2)19(12-15)24-21(27)13-23-18-8-4-3-7-17(18)22(28)25-11-5-6-16(26)14-25/h3-4,7-10,12,16,23,26H,5-6,11,13-14H2,1-2H3,(H,24,27)/t16-/m1/s1
InChIKeyUTSFDOQWSZTAJY-MRXNPFEDSA-N
MW397.48 g/mol
LogP2.65
Rot. Bonds6

About 2-[2-[(3R)-3-hydroxypiperidine-1-carbonyl]anilino]-N-(2-methoxy-5-methylphenyl)acetamide

2-[2-[(3R)-3-hydroxypiperidine-1-carbonyl]anilino]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 51957235) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[2-[(3R)-3-hydroxypiperidine-1-carbonyl]anilino]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(3R)-3-hydroxypiperidine-1-carbonyl]anilino]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID51957235
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name2-[2-[(3R)-3-hydroxypiperidine-1-carbonyl]anilino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNc1ccccc1C(=O)N1CCC[C@@H](O)C1
InChIInChI=1S/C22H27N3O4/c1-15-9-10-20(29-2)19(12-15)24-21(27)13-23-18-8-4-3-7-17(18)22(28)25-11-5-6-16(26)14-25/h3-4,7-10,12,16,23,26H,5-6,11,13-14H2,1-2H3,(H,24,27)/t16-/m1/s1
InChIKeyUTSFDOQWSZTAJY-MRXNPFEDSA-N
XLogP2.65
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536747
N-(5-chloro-2-fluorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536696
[2-[(2,5-dimethylphenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 60536898
N-(5-chloro-2-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536776
N-(3-chloro-4-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536925
2-(2-iodoanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 26506643
(3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107682
2-(3-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 9099219
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 9099909
N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]propanamide
CID 42193450
2-(2,5-dimethylanilino)-N-(2-methoxyphenyl)acetamide
CID 9079653

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-3-hydroxypiperidine-1-carbonyl]anilino]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[2-[(3R)-3-hydroxypiperidine-1-carbonyl]anilino]-N-(2-methoxy-5-methylphenyl)acetamide (CID 51957235) is 2-[2-[(3R)-3-hydroxypiperidine-1-carbonyl]anilino]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(3R)-3-hydroxypiperidine-1-carbonyl]anilino]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[(3R)-3-hydroxypiperidine-1-carbonyl]anilino]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CNc1ccccc1C(=O)N1CCC[C@@H](O)C1.
What is the InChIKey of 2-[2-[(3R)-3-hydroxypiperidine-1-carbonyl]anilino]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is UTSFDOQWSZTAJY-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-15-9-10-20(29-2)19(12-15)24-21(27)13-23-18-8-4-3-7-17(18)22(28)25-11-5-6-16(26)14-25/h3-4,7-10,12,16,23,26H,5-6,11,13-14H2,1-2H3,(H,24,27)/t16-/m1/s1.
What are the key properties of 2-[2-[(3R)-3-hydroxypiperidine-1-carbonyl]anilino]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[2-[(3R)-3-hydroxypiperidine-1-carbonyl]anilino]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 397.48 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-3-hydroxypiperidine-1-carbonyl]anilino]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 51957235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).