4-[2-[methyl-[(2-methylphenyl)methyl]amino]acetyl]-N-phenylpiperazine-1-carboxamide

C22H28N4O2 — CID 18094017

IUPAC4-[2-[methyl-[(2-methylphenyl)methyl]amino]acetyl]-N-phenylpiperazine-1-carboxamide
SMILESCc1ccccc1CN(C)CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H28N4O2/c1-18-8-6-7-9-19(18)16-24(2)17-21(27)25-12-14-26(15-13-25)22(28)23-20-10-4-3-5-11-20/h3-11H,12-17H2,1-2H3,(H,23,28)
InChIKeyYGBFTXZTVDCYBL-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.80
Rot. Bonds5

About 4-[2-[methyl-[(2-methylphenyl)methyl]amino]acetyl]-N-phenylpiperazine-1-carboxamide

4-[2-[methyl-[(2-methylphenyl)methyl]amino]acetyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 18094017) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-[2-[methyl-[(2-methylphenyl)methyl]amino]acetyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[methyl-[(2-methylphenyl)methyl]amino]acetyl]-N-phenylpiperazine-1-carboxamide
PubChem CID18094017
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name4-[2-[methyl-[(2-methylphenyl)methyl]amino]acetyl]-N-phenylpiperazine-1-carboxamide
SMILESCc1ccccc1CN(C)CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H28N4O2/c1-18-8-6-7-9-19(18)16-24(2)17-21(27)25-12-14-26(15-13-25)22(28)23-20-10-4-3-5-11-20/h3-11H,12-17H2,1-2H3,(H,23,28)
InChIKeyYGBFTXZTVDCYBL-UHFFFAOYSA-N
XLogP2.80
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(2-methylphenyl)methyl]amino]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 55410001
4-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-N-phenylpiperazine-1-carboxamide
CID 18094199
4-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetyl]-N-phenylpiperazine-1-carboxamide
CID 18094225
4-[(2-methylphenyl)methylsulfonyl]-N-phenylpiperazine-1-carboxamide
CID 110637840
4-[2-[benzyl(propyl)amino]acetyl]-N-phenylpiperazine-1-carboxamide
CID 78819158
1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 24565676
4-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-N-phenylpiperazine-1-carboxamide
CID 24507656
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592084
N-phenyl-4-(2-phenylacetyl)-1,4-diazepane-1-carboxamide
CID 110811558
N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
CID 119915006
2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 47006721
1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 78791327

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl-[(2-methylphenyl)methyl]amino]acetyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-[methyl-[(2-methylphenyl)methyl]amino]acetyl]-N-phenylpiperazine-1-carboxamide (CID 18094017) is 4-[2-[methyl-[(2-methylphenyl)methyl]amino]acetyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-[methyl-[(2-methylphenyl)methyl]amino]acetyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-[methyl-[(2-methylphenyl)methyl]amino]acetyl]-N-phenylpiperazine-1-carboxamide is Cc1ccccc1CN(C)CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[2-[methyl-[(2-methylphenyl)methyl]amino]acetyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is YGBFTXZTVDCYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-18-8-6-7-9-19(18)16-24(2)17-21(27)25-12-14-26(15-13-25)22(28)23-20-10-4-3-5-11-20/h3-11H,12-17H2,1-2H3,(H,23,28).
What are the key properties of 4-[2-[methyl-[(2-methylphenyl)methyl]amino]acetyl]-N-phenylpiperazine-1-carboxamide?
4-[2-[methyl-[(2-methylphenyl)methyl]amino]acetyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl-[(2-methylphenyl)methyl]amino]acetyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 18094017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).