N-(3-phenoxyphenyl)-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide

C21H23N5O2 — CID 124861052

IUPACN-(3-phenoxyphenyl)-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@@H](c2ncn[nH]2)C1)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H23N5O2/c27-20(14-26-11-5-6-16(13-26)21-22-15-23-25-21)24-17-7-4-10-19(12-17)28-18-8-2-1-3-9-18/h1-4,7-10,12,15-16H,5-6,11,13-14H2,(H,24,27)(H,22,23,25)/t16-/m1/s1
InChIKeyFUTKMIKYMLKKQW-MRXNPFEDSA-N
MW377.45 g/mol
LogP3.42
Rot. Bonds6

About N-(3-phenoxyphenyl)-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide

N-(3-phenoxyphenyl)-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide (PubChem CID 124861052) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(3-phenoxyphenyl)-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-phenoxyphenyl)-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
PubChem CID124861052
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-(3-phenoxyphenyl)-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@@H](c2ncn[nH]2)C1)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H23N5O2/c27-20(14-26-11-5-6-16(13-26)21-22-15-23-25-21)24-17-7-4-10-19(12-17)28-18-8-2-1-3-9-18/h1-4,7-10,12,15-16H,5-6,11,13-14H2,(H,24,27)(H,22,23,25)/t16-/m1/s1
InChIKeyFUTKMIKYMLKKQW-MRXNPFEDSA-N
XLogP3.42
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylphenoxy)phenyl]-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 100643134
N-(cyclopropylmethyl)-1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-3-carboxamide
CID 55841784
1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-4-carboxylic acid
CID 119907077
(3aS,6aR)-2-[2-oxo-2-(3-phenoxyanilino)ethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120681354
N-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972186
N-[3-(2-phenylethoxy)phenyl]-2-piperidin-1-ylacetamide
CID 54813456
N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972270
2-[4-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 99930607
methyl 3-[[2-[3-(phenoxymethyl)piperidin-1-yl]acetyl]amino]benzoate
CID 86972356
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 60642548
1-[(3-cyclopentyloxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 77086173
N-(3-ethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 126799165

Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxyphenyl)-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-phenoxyphenyl)-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide (CID 124861052) is N-(3-phenoxyphenyl)-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-phenoxyphenyl)-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-phenoxyphenyl)-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide is O=C(CN1CCC[C@@H](c2ncn[nH]2)C1)Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-(3-phenoxyphenyl)-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide?
The InChIKey is FUTKMIKYMLKKQW-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-20(14-26-11-5-6-16(13-26)21-22-15-23-25-21)24-17-7-4-10-19(12-17)28-18-8-2-1-3-9-18/h1-4,7-10,12,15-16H,5-6,11,13-14H2,(H,24,27)(H,22,23,25)/t16-/m1/s1.
What are the key properties of N-(3-phenoxyphenyl)-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide?
N-(3-phenoxyphenyl)-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide has a molecular weight of 377.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxyphenyl)-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 124861052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).