N-[1-[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide

C22H30N4O2 — CID 51289685

IUPACN-[1-[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide
SMILESCC(C(=O)NC1(C#N)CCCCC1)N1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C22H30N4O2/c1-17(20(27)25-22(16-23)12-6-3-7-13-22)26-14-10-19(11-15-26)24-21(28)18-8-4-2-5-9-18/h2,4-5,8-9,17,19H,3,6-7,10-15H2,1H3,(H,24,28)(H,25,27)
InChIKeyOGAYCOBKQXJVMN-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.61
Rot. Bonds5

About N-[1-[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide

N-[1-[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide (PubChem CID 51289685) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[1-[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide
PubChem CID51289685
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[1-[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide
SMILESCC(C(=O)NC1(C#N)CCCCC1)N1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C22H30N4O2/c1-17(20(27)25-22(16-23)12-6-3-7-13-22)26-14-10-19(11-15-26)24-21(28)18-8-4-2-5-9-18/h2,4-5,8-9,17,19H,3,6-7,10-15H2,1H3,(H,24,28)(H,25,27)
InChIKeyOGAYCOBKQXJVMN-UHFFFAOYSA-N
XLogP2.61
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-4-fluorobenzamide
CID 42955044
N-(1-cyanocyclohexyl)-2-[4-(phenoxymethyl)piperidin-1-yl]propanamide
CID 128947363
N-[1-[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 51289715
(2S)-N-(1-cyanocyclohexyl)-2-phenylsulfanylpropanamide
CID 7821049
N-[1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 18131575
N-[1-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 33108751
N-[1-[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 33103822
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 7203914
N-(1-cyanocyclohexyl)-3-oxo-3-phenylpropanamide
CID 110473191
N-(1-cyanocyclohexyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 51282378
4-[(E)-3-[(1-cyanocyclopentyl)amino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 75535401
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide (CID 51289685) is N-[1-[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide is CC(C(=O)NC1(C#N)CCCCC1)N1CCC(NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide?
The InChIKey is OGAYCOBKQXJVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-17(20(27)25-22(16-23)12-6-3-7-13-22)26-14-10-19(11-15-26)24-21(28)18-8-4-2-5-9-18/h2,4-5,8-9,17,19H,3,6-7,10-15H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[1-[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide?
N-[1-[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide has a molecular weight of 382.51 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 51289685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).