4-[2-[benzyl(propyl)amino]acetyl]-N-phenylpiperazine-1-carboxamide

C23H30N4O2 — CID 78819158

IUPAC4-[2-[benzyl(propyl)amino]acetyl]-N-phenylpiperazine-1-carboxamide
SMILESCCCN(CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)Cc1ccccc1
InChIInChI=1S/C23H30N4O2/c1-2-13-25(18-20-9-5-3-6-10-20)19-22(28)26-14-16-27(17-15-26)23(29)24-21-11-7-4-8-12-21/h3-12H,2,13-19H2,1H3,(H,24,29)
InChIKeyIULOLYSPWPIMNK-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.27
Rot. Bonds7

About 4-[2-[benzyl(propyl)amino]acetyl]-N-phenylpiperazine-1-carboxamide

4-[2-[benzyl(propyl)amino]acetyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 78819158) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-[2-[benzyl(propyl)amino]acetyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[benzyl(propyl)amino]acetyl]-N-phenylpiperazine-1-carboxamide
PubChem CID78819158
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name4-[2-[benzyl(propyl)amino]acetyl]-N-phenylpiperazine-1-carboxamide
SMILESCCCN(CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)Cc1ccccc1
InChIInChI=1S/C23H30N4O2/c1-2-13-25(18-20-9-5-3-6-10-20)19-22(28)26-14-16-27(17-15-26)23(29)24-21-11-7-4-8-12-21/h3-12H,2,13-19H2,1H3,(H,24,29)
InChIKeyIULOLYSPWPIMNK-UHFFFAOYSA-N
XLogP3.27
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-phenyl-4-(2-phenylacetyl)-1,4-diazepane-1-carboxamide
CID 110811558
4-[2-[methyl-[(2-methylphenyl)methyl]amino]acetyl]-N-phenylpiperazine-1-carboxamide
CID 18094017
2-(dibenzylamino)-1-piperazin-1-ylethanone
CID 67567053
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
2-[benzyl(propyl)amino]-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 46671885
N-phenyl-4-(propylamino)piperidine-1-carboxamide
CID 54923338
2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 60503858
4-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-N-phenylpiperazine-1-carboxamide
CID 24507656
N-[4-[[benzyl(propyl)amino]methyl]phenyl]-2-phenylacetamide
CID 166633000
1-(4-aminopiperidin-1-yl)-2-(dibenzylamino)ethanone
CID 119374335

Frequently Asked Questions

What is the IUPAC name of 4-[2-[benzyl(propyl)amino]acetyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-[benzyl(propyl)amino]acetyl]-N-phenylpiperazine-1-carboxamide (CID 78819158) is 4-[2-[benzyl(propyl)amino]acetyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-[benzyl(propyl)amino]acetyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-[benzyl(propyl)amino]acetyl]-N-phenylpiperazine-1-carboxamide is CCCN(CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)Cc1ccccc1.
What is the InChIKey of 4-[2-[benzyl(propyl)amino]acetyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is IULOLYSPWPIMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-2-13-25(18-20-9-5-3-6-10-20)19-22(28)26-14-16-27(17-15-26)23(29)24-21-11-7-4-8-12-21/h3-12H,2,13-19H2,1H3,(H,24,29).
What are the key properties of 4-[2-[benzyl(propyl)amino]acetyl]-N-phenylpiperazine-1-carboxamide?
4-[2-[benzyl(propyl)amino]acetyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[benzyl(propyl)amino]acetyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 78819158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).