1-[2-(4-cyanophenoxy)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

C20H22N4O4 — CID 51300270

IUPAC1-[2-(4-cyanophenoxy)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)C(C)Oc3ccc(C#N)cc3)CC2)no1
InChIInChI=1S/C20H22N4O4/c1-13-11-18(23-28-13)22-19(25)16-7-9-24(10-8-16)20(26)14(2)27-17-5-3-15(12-21)4-6-17/h3-6,11,14,16H,7-10H2,1-2H3,(H,22,23,25)
InChIKeySJZUNBXTBCLUNB-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.50
Rot. Bonds5

About 1-[2-(4-cyanophenoxy)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

1-[2-(4-cyanophenoxy)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (PubChem CID 51300270) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-[2-(4-cyanophenoxy)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-cyanophenoxy)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
PubChem CID51300270
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name1-[2-(4-cyanophenoxy)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)C(C)Oc3ccc(C#N)cc3)CC2)no1
InChIInChI=1S/C20H22N4O4/c1-13-11-18(23-28-13)22-19(25)16-7-9-24(10-8-16)20(26)14(2)27-17-5-3-15(12-21)4-6-17/h3-6,11,14,16H,7-10H2,1-2H3,(H,22,23,25)
InChIKeySJZUNBXTBCLUNB-UHFFFAOYSA-N
XLogP2.50
TPSA108.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[2-(4-cyanophenoxy)propanoyl]piperidine-4-carboxylate
CID 47005116
4-[1-[4-(azepane-1-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 46483655
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide
CID 39702422
4-[4-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]oxyphenyl]benzonitrile
CID 41310830
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 39701615
1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55485462
1-N-(4-methoxyphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide
CID 30940077
4-[(2R)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 9151235
1-[2-(4-methoxyphenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 39700872
1-[(2R)-2-(4-fluorophenoxy)propanoyl]-N-phenylpiperidine-4-carboxamide
CID 41499825
1-(5-acetyl-2-cyanophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 133442836
N-(5-methyl-1,2-oxazol-3-yl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 55608113

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyanophenoxy)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-cyanophenoxy)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (CID 51300270) is 1-[2-(4-cyanophenoxy)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-cyanophenoxy)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-cyanophenoxy)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(C(=O)C(C)Oc3ccc(C#N)cc3)CC2)no1.
What is the InChIKey of 1-[2-(4-cyanophenoxy)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The InChIKey is SJZUNBXTBCLUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-13-11-18(23-28-13)22-19(25)16-7-9-24(10-8-16)20(26)14(2)27-17-5-3-15(12-21)4-6-17/h3-6,11,14,16H,7-10H2,1-2H3,(H,22,23,25).
What are the key properties of 1-[2-(4-cyanophenoxy)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
1-[2-(4-cyanophenoxy)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyanophenoxy)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 51300270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).