N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(3S)-piperidin-3-yl]benzamide

C21H28N4O2 — CID 97210642

IUPACN-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(3S)-piperidin-3-yl]benzamide
SMILESO=C(NCc1nc(C2CCCCC2)no1)c1ccc([C@@H]2CCCNC2)cc1
InChIInChI=1S/C21H28N4O2/c26-21(17-10-8-15(9-11-17)18-7-4-12-22-13-18)23-14-19-24-20(25-27-19)16-5-2-1-3-6-16/h8-11,16,18,22H,1-7,12-14H2,(H,23,26)/t18-/m1/s1
InChIKeyPSMPPMPECYOWOX-GOSISDBHSA-N
MW368.48 g/mol
LogP3.51
Rot. Bonds5

About N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(3S)-piperidin-3-yl]benzamide

N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(3S)-piperidin-3-yl]benzamide (PubChem CID 97210642) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(3S)-piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(3S)-piperidin-3-yl]benzamide
PubChem CID97210642
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(3S)-piperidin-3-yl]benzamide
SMILESO=C(NCc1nc(C2CCCCC2)no1)c1ccc([C@@H]2CCCNC2)cc1
InChIInChI=1S/C21H28N4O2/c26-21(17-10-8-15(9-11-17)18-7-4-12-22-13-18)23-14-19-24-20(25-27-19)16-5-2-1-3-6-16/h8-11,16,18,22H,1-7,12-14H2,(H,23,26)/t18-/m1/s1
InChIKeyPSMPPMPECYOWOX-GOSISDBHSA-N
XLogP3.51
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(3S)-piperidin-3-yl]benzamide with MolForge

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Related Compounds

N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 135117057
N-ethyl-4-piperidin-3-ylbenzamide
CID 172654355
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120837799
N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride
CID 172654364
4-methoxy-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 120956782
N-[3-(cyclohexylamino)-3-oxopropyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97200837
N-(3-cyclopentyloxypropyl)-4-[(3R)-piperidin-3-yl]benzamide
CID 97189956
N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide;hydrochloride
CID 120956861
4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]-N-ethyl-3-methylbenzamide
CID 72885571
3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96839705
N-[(2-amino-3-pyridinyl)methyl]-4-piperidin-3-ylbenzamide
CID 72890769
N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-5-carboxamide
CID 121021957

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(3S)-piperidin-3-yl]benzamide?
The IUPAC name of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(3S)-piperidin-3-yl]benzamide (CID 97210642) is N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(3S)-piperidin-3-yl]benzamide.
What is the SMILES notation for N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(3S)-piperidin-3-yl]benzamide?
The canonical SMILES for N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(3S)-piperidin-3-yl]benzamide is O=C(NCc1nc(C2CCCCC2)no1)c1ccc([C@@H]2CCCNC2)cc1.
What is the InChIKey of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(3S)-piperidin-3-yl]benzamide?
The InChIKey is PSMPPMPECYOWOX-GOSISDBHSA-N. The full InChI is InChI=1S/C21H28N4O2/c26-21(17-10-8-15(9-11-17)18-7-4-12-22-13-18)23-14-19-24-20(25-27-19)16-5-2-1-3-6-16/h8-11,16,18,22H,1-7,12-14H2,(H,23,26)/t18-/m1/s1.
What are the key properties of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(3S)-piperidin-3-yl]benzamide?
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(3S)-piperidin-3-yl]benzamide has a molecular weight of 368.48 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(3S)-piperidin-3-yl]benzamide is sourced from PubChem (CID 97210642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).