N-methyl-N-[(2-methylphenyl)methyl]-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide

C24H32N4O2 — CID 78860482

IUPACN-methyl-N-[(2-methylphenyl)methyl]-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
SMILESCc1ccccc1CN(C)C(=O)CN1CCCCC1CNC(=O)Nc1ccccc1
InChIInChI=1S/C24H32N4O2/c1-19-10-6-7-11-20(19)17-27(2)23(29)18-28-15-9-8-14-22(28)16-25-24(30)26-21-12-4-3-5-13-21/h3-7,10-13,22H,8-9,14-18H2,1-2H3,(H2,25,26,30)
InChIKeyNZFOJHQNDDONOU-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.63
Rot. Bonds7

About N-methyl-N-[(2-methylphenyl)methyl]-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide

N-methyl-N-[(2-methylphenyl)methyl]-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide (PubChem CID 78860482) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-methyl-N-[(2-methylphenyl)methyl]-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylphenyl)methyl]-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
PubChem CID78860482
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-methyl-N-[(2-methylphenyl)methyl]-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
SMILESCc1ccccc1CN(C)C(=O)CN1CCCCC1CNC(=O)Nc1ccccc1
InChIInChI=1S/C24H32N4O2/c1-19-10-6-7-11-20(19)17-27(2)23(29)18-28-15-9-8-14-22(28)16-25-24(30)26-21-12-4-3-5-13-21/h3-7,10-13,22H,8-9,14-18H2,1-2H3,(H2,25,26,30)
InChIKeyNZFOJHQNDDONOU-UHFFFAOYSA-N
XLogP3.63
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
CID 55601037
N-(cyclohexylmethyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
CID 55626345
N-methyl-N-[(2-methylphenyl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56780580
3-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]propanoic acid
CID 119123950
2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 60505437
2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 71897626
N-(3-methylsulfonylphenyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
CID 42956011
3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231590
N-(5-chloro-2-fluorophenyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
CID 55626041
1-[[1-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]piperidin-2-yl]methyl]-3-phenylurea
CID 78860486
2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 102977293
N-[(2-bromophenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 62734419

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide (CID 78860482) is N-methyl-N-[(2-methylphenyl)methyl]-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(2-methylphenyl)methyl]-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-N-[(2-methylphenyl)methyl]-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide is Cc1ccccc1CN(C)C(=O)CN1CCCCC1CNC(=O)Nc1ccccc1.
What is the InChIKey of N-methyl-N-[(2-methylphenyl)methyl]-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide?
The InChIKey is NZFOJHQNDDONOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-19-10-6-7-11-20(19)17-27(2)23(29)18-28-15-9-8-14-22(28)16-25-24(30)26-21-12-4-3-5-13-21/h3-7,10-13,22H,8-9,14-18H2,1-2H3,(H2,25,26,30).
What are the key properties of N-methyl-N-[(2-methylphenyl)methyl]-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide?
N-methyl-N-[(2-methylphenyl)methyl]-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide has a molecular weight of 408.55 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylphenyl)methyl]-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 78860482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).