2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide

C21H32N4O2 — CID 86916369

IUPAC2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide
SMILESCC1CCCCC1NC(=O)CNc1ccc(N2CCCCC2)cc1C(N)=O
InChIInChI=1S/C21H32N4O2/c1-15-7-3-4-8-18(15)24-20(26)14-23-19-10-9-16(13-17(19)21(22)27)25-11-5-2-6-12-25/h9-10,13,15,18,23H,2-8,11-12,14H2,1H3,(H2,22,27)(H,24,26)
InChIKeyLIDJGFDYEDCFTC-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.88
Rot. Bonds6

About 2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide

2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide (PubChem CID 86916369) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide
PubChem CID86916369
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide
SMILESCC1CCCCC1NC(=O)CNc1ccc(N2CCCCC2)cc1C(N)=O
InChIInChI=1S/C21H32N4O2/c1-15-7-3-4-8-18(15)24-20(26)14-23-19-10-9-16(13-17(19)21(22)27)25-11-5-2-6-12-25/h9-10,13,15,18,23H,2-8,11-12,14H2,1H3,(H2,22,27)(H,24,26)
InChIKeyLIDJGFDYEDCFTC-UHFFFAOYSA-N
XLogP2.88
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide
CID 18272466
2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2-methylcyclohexyl)acetamide
CID 60536841
2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide
CID 18278896
N-(2-methylcyclohexyl)-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 55346771
N-(2-hydroxyethyl)-2-[[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]benzamide
CID 95313685
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylcyclohexyl)acetamide
CID 46797821
2-amino-5-(azepan-1-yl)benzamide
CID 61313055
2-[(Z)-[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 52534597
2-[(Z)-[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 52534598
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-methylcyclohexyl)acetamide
CID 51160031
2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 8691283
2-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 94437071

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide?
The IUPAC name of 2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide (CID 86916369) is 2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide.
What is the SMILES notation for 2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide?
The canonical SMILES for 2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide is CC1CCCCC1NC(=O)CNc1ccc(N2CCCCC2)cc1C(N)=O.
What is the InChIKey of 2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide?
The InChIKey is LIDJGFDYEDCFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-15-7-3-4-8-18(15)24-20(26)14-23-19-10-9-16(13-17(19)21(22)27)25-11-5-2-6-12-25/h9-10,13,15,18,23H,2-8,11-12,14H2,1H3,(H2,22,27)(H,24,26).
What are the key properties of 2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide?
2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide has a molecular weight of 372.51 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide is sourced from PubChem (CID 86916369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).