N-[4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide

C24H31N3O2 — CID 55753716

IUPACN-[4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide
SMILESCc1ccccc1CN1CCC(NC(=O)CC(C)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c1-18-8-6-7-11-21(18)17-27-14-12-22(13-15-27)26-23(28)16-19(2)25-24(29)20-9-4-3-5-10-20/h3-11,19,22H,12-17H2,1-2H3,(H,25,29)(H,26,28)
InChIKeySCXSJZMTSDJVEE-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.28
Rot. Bonds7

About N-[4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide

N-[4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide (PubChem CID 55753716) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide
PubChem CID55753716
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide
SMILESCc1ccccc1CN1CCC(NC(=O)CC(C)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c1-18-8-6-7-11-21(18)17-27-14-12-22(13-15-27)26-23(28)16-19(2)25-24(29)20-9-4-3-5-10-20/h3-11,19,22H,12-17H2,1-2H3,(H,25,29)(H,26,28)
InChIKeySCXSJZMTSDJVEE-UHFFFAOYSA-N
XLogP3.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide
CID 24629855
N-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]benzamide
CID 39963895
2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 87020158
2-[(Z)-(1-amino-2-methylpropylidene)amino]oxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 167988186
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide
CID 136577828
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-nitrobenzamide
CID 55753843
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 119043015
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
CID 86861004
2-(2-butan-2-ylphenoxy)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 55753957
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 55754018
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 136577829
2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide
CID 55911896

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide (CID 55753716) is N-[4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide is Cc1ccccc1CN1CCC(NC(=O)CC(C)NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide?
The InChIKey is SCXSJZMTSDJVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18-8-6-7-11-21(18)17-27-14-12-22(13-15-27)26-23(28)16-19(2)25-24(29)20-9-4-3-5-10-20/h3-11,19,22H,12-17H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of N-[4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide?
N-[4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide has a molecular weight of 393.53 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 55753716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).