N-(2-aminoethyl)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidine-3-carboxamide

C20H26N4O3 — CID 119480187

IUPACN-(2-aminoethyl)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)CCc2ncc(-c3ccccc3)o2)C1
InChIInChI=1S/C20H26N4O3/c21-10-11-22-20(26)16-7-4-12-24(14-16)19(25)9-8-18-23-13-17(27-18)15-5-2-1-3-6-15/h1-3,5-6,13,16H,4,7-12,14,21H2,(H,22,26)
InChIKeyKWGSKVBOKWOKBR-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.59
Rot. Bonds7

About N-(2-aminoethyl)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidine-3-carboxamide (PubChem CID 119480187) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidine-3-carboxamide
PubChem CID119480187
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-(2-aminoethyl)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)CCc2ncc(-c3ccccc3)o2)C1
InChIInChI=1S/C20H26N4O3/c21-10-11-22-20(26)16-7-4-12-24(14-16)19(25)9-8-18-23-13-17(27-18)15-5-2-1-3-6-15/h1-3,5-6,13,16H,4,7-12,14,21H2,(H,22,26)
InChIKeyKWGSKVBOKWOKBR-UHFFFAOYSA-N
XLogP1.59
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55818716
1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylic acid
CID 119136265
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 111560993
1-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-phenylpiperidine-3-carboxamide
CID 18138431
1-[3-(hydroxymethyl)piperidin-1-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 110890206
N-(5-aminopentyl)-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 154967018
methyl 1-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylate
CID 108809123
N-(2-aminoethyl)-1-[3-(4-fluorophenyl)propanoyl]piperidine-3-carboxamide
CID 119479232
1-[4-(methylamino)piperidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride
CID 119560940
N-(2-aminoethyl)-1-[3-(4-chlorophenyl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479751
N-(2-aminoethyl)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide
CID 119482155
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119484802

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidine-3-carboxamide (CID 119480187) is N-(2-aminoethyl)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(C(=O)CCc2ncc(-c3ccccc3)o2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidine-3-carboxamide?
The InChIKey is KWGSKVBOKWOKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c21-10-11-22-20(26)16-7-4-12-24(14-16)19(25)9-8-18-23-13-17(27-18)15-5-2-1-3-6-15/h1-3,5-6,13,16H,4,7-12,14,21H2,(H,22,26).
What are the key properties of N-(2-aminoethyl)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidine-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 119480187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).