N-(2-hydroxyphenyl)-1-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

C22H27N3O4 — CID 25489471

IUPACN-(2-hydroxyphenyl)-1-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H](C)N2CCC(C(=O)Nc3ccccc3O)CC2)cc1
InChIInChI=1S/C22H27N3O4/c1-15(21(27)23-17-7-9-18(29-2)10-8-17)25-13-11-16(12-14-25)22(28)24-19-5-3-4-6-20(19)26/h3-10,15-16,26H,11-14H2,1-2H3,(H,23,27)(H,24,28)/t15-/m1/s1
InChIKeyHULWXFZOEWXFFB-OAHLLOKOSA-N
MW397.48 g/mol
LogP3.08
Rot. Bonds6

About N-(2-hydroxyphenyl)-1-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

N-(2-hydroxyphenyl)-1-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide (PubChem CID 25489471) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-1-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-1-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
PubChem CID25489471
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-(2-hydroxyphenyl)-1-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H](C)N2CCC(C(=O)Nc3ccccc3O)CC2)cc1
InChIInChI=1S/C22H27N3O4/c1-15(21(27)23-17-7-9-18(29-2)10-8-17)25-13-11-16(12-14-25)22(28)24-19-5-3-4-6-20(19)26/h3-10,15-16,26H,11-14H2,1-2H3,(H,23,27)(H,24,28)/t15-/m1/s1
InChIKeyHULWXFZOEWXFFB-OAHLLOKOSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyphenyl)-1-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 25489479
1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 46444408
1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473
N-[2-(2-fluorophenyl)ethyl]-1-[1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 55842591
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 16605982
1-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 26385714
N-methyl-1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxamide
CID 42927395
1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 30795732
(2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 41414916
4-N-(2-hydroxyphenyl)-1-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 17486442
methyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 8741714
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 120776022

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-1-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-1-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide (CID 25489471) is N-(2-hydroxyphenyl)-1-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-1-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-1-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide is COc1ccc(NC(=O)[C@@H](C)N2CCC(C(=O)Nc3ccccc3O)CC2)cc1.
What is the InChIKey of N-(2-hydroxyphenyl)-1-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The InChIKey is HULWXFZOEWXFFB-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-15(21(27)23-17-7-9-18(29-2)10-8-17)25-13-11-16(12-14-25)22(28)24-19-5-3-4-6-20(19)26/h3-10,15-16,26H,11-14H2,1-2H3,(H,23,27)(H,24,28)/t15-/m1/s1.
What are the key properties of N-(2-hydroxyphenyl)-1-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
N-(2-hydroxyphenyl)-1-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-1-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 25489471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).