2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide

C28H32N4O2 — CID 55911896

IUPAC2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide
SMILESCc1ccccc1CN1CCC(NC(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H32N4O2/c1-21-10-8-9-13-23(21)20-32-18-16-25(17-19-32)30-28(34)31-26(22-11-4-2-5-12-22)27(33)29-24-14-6-3-7-15-24/h2-15,25-26H,16-20H2,1H3,(H,29,33)(H2,30,31,34)
InChIKeyMCJBLDUEZGQBKG-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.64
Rot. Bonds7

About 2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide

2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide (PubChem CID 55911896) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide.

Molecular Properties

Compound Name2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide
PubChem CID55911896
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide
SMILESCc1ccccc1CN1CCC(NC(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H32N4O2/c1-21-10-8-9-13-23(21)20-32-18-16-25(17-19-32)30-28(34)31-26(22-11-4-2-5-12-22)27(33)29-24-14-6-3-7-15-24/h2-15,25-26H,16-20H2,1H3,(H,29,33)(H2,30,31,34)
InChIKeyMCJBLDUEZGQBKG-UHFFFAOYSA-N
XLogP4.64
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide
CID 55912566
2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 87020158
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
CID 86861004
1-(1-benzylpiperidin-4-yl)-3-[(1S)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]urea
CID 51726136
1-(2-ethyl-2-hydroxybutyl)-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea
CID 110910101
N-[4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide
CID 55753716
1-[1-(3-methoxyphenyl)propan-2-yl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea
CID 86943158
2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide
CID 47075852
N-(cyclohexylcarbamoyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30649050
1-[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]-3-phenylurea
CID 110638075
(2R)-N-methyl-2-[[1-(3-methylphenyl)piperidin-4-yl]carbamoylamino]-2-phenylacetamide
CID 126437574
1-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-3-phenylurea
CID 158434164

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide?
The IUPAC name of 2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide (CID 55911896) is 2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide.
What is the SMILES notation for 2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide?
The canonical SMILES for 2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide is Cc1ccccc1CN1CCC(NC(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide?
The InChIKey is MCJBLDUEZGQBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-21-10-8-9-13-23(21)20-32-18-16-25(17-19-32)30-28(34)31-26(22-11-4-2-5-12-22)27(33)29-24-14-6-3-7-15-24/h2-15,25-26H,16-20H2,1H3,(H,29,33)(H2,30,31,34).
What are the key properties of 2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide?
2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide has a molecular weight of 456.59 g/mol, XLogP of 4.64, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide is sourced from PubChem (CID 55911896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).