4-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide

C23H30N4O2 — CID 60570095

IUPAC4-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H30N4O2/c28-23(27-12-10-25(11-13-27)19-21-4-2-1-3-5-21)24-18-20-6-8-22(9-7-20)26-14-16-29-17-15-26/h1-9H,10-19H2,(H,24,28)
InChIKeyVBPUZVGCFNWOGO-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.55
Rot. Bonds5

About 4-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide

4-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 60570095) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide
PubChem CID60570095
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name4-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H30N4O2/c28-23(27-12-10-25(11-13-27)19-21-4-2-1-3-5-21)24-18-20-6-8-22(9-7-20)26-14-16-29-17-15-26/h1-9H,10-19H2,(H,24,28)
InChIKeyVBPUZVGCFNWOGO-UHFFFAOYSA-N
XLogP2.55
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
1-(4-benzylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)ethanone
CID 110411980
1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 46774277
N-[(4-morpholin-4-ylphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86831395
4-[4-(benzylcarbamoyl)piperazin-1-yl]benzoic acid
CID 15356133
N-benzyl-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
CID 24664690
N-benzyl-4-(4-bromophenyl)piperazine-1-carboxamide
CID 113106592
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891636
N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 155292939
4-benzyl-N-[(3-bromophenyl)methyl]piperazine-1-carboxamide
CID 108898851
4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide
CID 60545892

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide (CID 60570095) is 4-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide is O=C(NCc1ccc(N2CCOCC2)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is VBPUZVGCFNWOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c28-23(27-12-10-25(11-13-27)19-21-4-2-1-3-5-21)24-18-20-6-8-22(9-7-20)26-14-16-29-17-15-26/h1-9H,10-19H2,(H,24,28).
What are the key properties of 4-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide?
4-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 60570095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).