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

C29H38N6O2 — CID 44629071

IUPACN-[[1-(cyclohexylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCC1(NC2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C29H38N6O2/c36-28(30-20-29(16-6-7-17-29)33-23-9-2-1-3-10-23)35-18-14-22(15-19-35)27-32-26(34-37-27)25-13-12-21-8-4-5-11-24(21)31-25/h4-5,8,11-13,22-23,33H,1-3,6-7,9-10,14-20H2,(H,30,36)
InChIKeyKTMRSBPRMZBLDM-UHFFFAOYSA-N
MW502.66 g/mol
LogP5.41
Rot. Bonds6

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

N-[[1-(cyclohexylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 44629071) has the molecular formula C29H38N6O2 and a molecular weight of 502.66 g/mol. Its IUPAC name is N-[[1-(cyclohexylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(cyclohexylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID44629071
Molecular FormulaC29H38N6O2
Molecular Weight502.66 g/mol
Exact Mass502.31
IUPAC NameN-[[1-(cyclohexylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCC1(NC2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C29H38N6O2/c36-28(30-20-29(16-6-7-17-29)33-23-9-2-1-3-10-23)35-18-14-22(15-19-35)27-32-26(34-37-27)25-13-12-21-8-4-5-11-24(21)31-25/h4-5,8,11-13,22-23,33H,1-3,6-7,9-10,14-20H2,(H,30,36)
InChIKeyKTMRSBPRMZBLDM-UHFFFAOYSA-N
XLogP5.41
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[1-(cyclohexylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-phenylcyclopropyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 44232522
N-(2-chlorophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 44610687
N-(2-chlorophenyl)-3-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 44629065
2-{5-[1-(Cycloheptylacetyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl}quinoline
CID 44629066
Cyclohexyl 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
CID 44629067
4-(3-(isoquinolin-1-yl)-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 45270788
N-(2-phenylcyclopropyl)-4-(3-(quinolin-2-yl)-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 45271618
N-cyclohexyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide
CID 56668936
N-(1,1-dioxothian-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 56675800
N-((1R,2S)-2-phenylcyclopropyl)-4-(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 44235863
4-(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine-1-carboxamide
CID 44236322
3-(4-(3-(Pyridin-4-yl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)quinoline
CID 44577553

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclohexylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[[1-(cyclohexylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 44629071) is N-[[1-(cyclohexylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[1-(cyclohexylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[[1-(cyclohexylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is O=C(NCC1(NC2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1.
What is the InChIKey of N-[[1-(cyclohexylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is KTMRSBPRMZBLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6O2/c36-28(30-20-29(16-6-7-17-29)33-23-9-2-1-3-10-23)35-18-14-22(15-19-35)27-32-26(34-37-27)25-13-12-21-8-4-5-11-24(21)31-25/h4-5,8,11-13,22-23,33H,1-3,6-7,9-10,14-20H2,(H,30,36).
What are the key properties of N-[[1-(cyclohexylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-[[1-(cyclohexylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 502.66 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclohexylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 44629071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).