N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide

C27H31N5O3 — CID 122445848

IUPACN-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NC1CC(=O)N(c2ccc(CN3CCCCC3)cc2)C1)c1nnc(CCc2ccccc2)o1
InChIInChI=1S/C27H31N5O3/c33-25-17-22(19-32(25)23-12-9-21(10-13-23)18-31-15-5-2-6-16-31)28-26(34)27-30-29-24(35-27)14-11-20-7-3-1-4-8-20/h1,3-4,7-10,12-13,22H,2,5-6,11,14-19H2,(H,28,34)
InChIKeyQGFORVTWKIHWQX-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.38
Rot. Bonds8

About N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide

N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 122445848) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID122445848
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC NameN-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NC1CC(=O)N(c2ccc(CN3CCCCC3)cc2)C1)c1nnc(CCc2ccccc2)o1
InChIInChI=1S/C27H31N5O3/c33-25-17-22(19-32(25)23-12-9-21(10-13-23)18-31-15-5-2-6-16-31)28-26(34)27-30-29-24(35-27)14-11-20-7-3-1-4-8-20/h1,3-4,7-10,12-13,22H,2,5-6,11,14-19H2,(H,28,34)
InChIKeyQGFORVTWKIHWQX-UHFFFAOYSA-N
XLogP3.38
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide (CID 122445848) is N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide is O=C(NC1CC(=O)N(c2ccc(CN3CCCCC3)cc2)C1)c1nnc(CCc2ccccc2)o1.
What is the InChIKey of N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is QGFORVTWKIHWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3/c33-25-17-22(19-32(25)23-12-9-21(10-13-23)18-31-15-5-2-6-16-31)28-26(34)27-30-29-24(35-27)14-11-20-7-3-1-4-8-20/h1,3-4,7-10,12-13,22H,2,5-6,11,14-19H2,(H,28,34).
What are the key properties of N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 122445848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).