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

C25H32N6O2 — CID 56658050

IUPACN-[[1-(ethylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCCNC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1
InChIInChI=1S/C25H32N6O2/c1-2-27-25(13-5-6-14-25)17-26-24(32)31-15-11-19(12-16-31)23-29-22(30-33-23)21-10-9-18-7-3-4-8-20(18)28-21/h3-4,7-10,19,27H,2,5-6,11-17H2,1H3,(H,26,32)
InChIKeyCDBHWBWRISTEBO-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.10
Rot. Bonds6

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

N-[[1-(ethylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 56658050) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[[1-(ethylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(ethylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID56658050
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC NameN-[[1-(ethylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCCNC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1
InChIInChI=1S/C25H32N6O2/c1-2-27-25(13-5-6-14-25)17-26-24(32)31-15-11-19(12-16-31)23-29-22(30-33-23)21-10-9-18-7-3-4-8-20(18)28-21/h3-4,7-10,19,27H,2,5-6,11-17H2,1H3,(H,26,32)
InChIKeyCDBHWBWRISTEBO-UHFFFAOYSA-N
XLogP4.10
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(ethylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[[1-(ethylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 56658050) is N-[[1-(ethylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[1-(ethylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[[1-(ethylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is CCNC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1.
What is the InChIKey of N-[[1-(ethylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is CDBHWBWRISTEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-2-27-25(13-5-6-14-25)17-26-24(32)31-15-11-19(12-16-31)23-29-22(30-33-23)21-10-9-18-7-3-4-8-20(18)28-21/h3-4,7-10,19,27H,2,5-6,11-17H2,1H3,(H,26,32).
What are the key properties of N-[[1-(ethylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-[[1-(ethylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(ethylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 56658050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).