N-[(1-acetamidocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C25H30N6O3 — CID 56668540

IUPACN-[(1-acetamidocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(=O)NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1
InChIInChI=1S/C25H30N6O3/c1-17(32)29-25(12-4-5-13-25)16-26-24(33)31-14-10-19(11-15-31)23-28-22(30-34-23)21-9-8-18-6-2-3-7-20(18)27-21/h2-3,6-9,19H,4-5,10-16H2,1H3,(H,26,33)(H,29,32)
InChIKeyHZXFMWCLTSEGBO-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.62
Rot. Bonds5

About N-[(1-acetamidocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

N-[(1-acetamidocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 56668540) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[(1-acetamidocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-acetamidocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID56668540
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC NameN-[(1-acetamidocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(=O)NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1
InChIInChI=1S/C25H30N6O3/c1-17(32)29-25(12-4-5-13-25)16-26-24(33)31-14-10-19(11-15-31)23-28-22(30-34-23)21-9-8-18-6-2-3-7-20(18)27-21/h2-3,6-9,19H,4-5,10-16H2,1H3,(H,26,33)(H,29,32)
InChIKeyHZXFMWCLTSEGBO-UHFFFAOYSA-N
XLogP3.62
TPSA113.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-acetamidocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(1-acetamidocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 56668540) is N-[(1-acetamidocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1-acetamidocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1-acetamidocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is CC(=O)NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1.
What is the InChIKey of N-[(1-acetamidocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is HZXFMWCLTSEGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-17(32)29-25(12-4-5-13-25)16-26-24(33)31-14-10-19(11-15-31)23-28-22(30-34-23)21-9-8-18-6-2-3-7-20(18)27-21/h2-3,6-9,19H,4-5,10-16H2,1H3,(H,26,33)(H,29,32).
What are the key properties of N-[(1-acetamidocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-[(1-acetamidocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetamidocyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 56668540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).